Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-06 15:16:50 UTC |
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Update Date | 2022-03-07 02:51:44 UTC |
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HMDB ID | HMDB0014769 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Clofarabine |
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Description | Clofarabine is a purine nucleoside antimetabolite that is being studied in the treatment of cancer. It is marketed in the U.S. and Canada as Clolar. In Europe and Australia/New Zealand the product is marketed under the name Evoltra. Clofarabine is used in paediatrics to treat a type of leukaemia called relapsed or refractory acute lymphoblastic leukaemia (ALL), only after at least two other types of treatment have failed. It is not known if the drug extends life expectancy. Some investigations of effectiveness in cases of acute myeloid leukaemia (AML) and juvenile myelomonocytic leukaemia (JMML) have been carried out. |
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Structure | [H][C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=C(Cl)N=C12 InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1 |
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Synonyms | Value | Source |
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(2R,3R,4S,5R)-5-(6-Amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol | ChEBI | 2-Chloro-9-(2'-deoxy-2'-fluoro-beta-D-arabinofuranosyl)adenine | ChEBI | 2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine | ChEBI | CAFdA | ChEBI | CL-F-Ara-a | ChEBI | Clofarabina | ChEBI | Clofarabinum | ChEBI | Clolar | Kegg | 2-Chloro-9-(2'-deoxy-2'-fluoro-b-D-arabinofuranosyl)adenine | Generator | 2-Chloro-9-(2'-deoxy-2'-fluoro-β-D-arabinofuranosyl)adenine | Generator | 2-Chloro-9-(2-deoxy-2-fluoro-b-D-arabinofuranosyl)adenine | Generator | 2-Chloro-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)adenine | Generator | 2-Chloro-2'-fluoroarabino-2'-deoxyadenosine | HMDB | 2-Chloro-2'-arabino-fluoro-2'-deoxyadenosine | HMDB | 2-Chloro-9-(2-deoxy-2-fluoroarabinofuranosyl)adenine | HMDB | 2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arbinofuranosyl)adenine | HMDB | Clofarex | HMDB | Evoltra | HMDB | 2 Chloro 2' arabino fluoro 2' deoxyadenosine | HMDB | 2 Chloro 2' fluoroarabino 2' deoxyadenosine | HMDB |
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Chemical Formula | C10H11ClFN5O3 |
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Average Molecular Weight | 303.677 |
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Monoisotopic Molecular Weight | 303.053445155 |
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IUPAC Name | (2R,3R,4S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol |
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Traditional Name | clofarabine |
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CAS Registry Number | 123318-82-1 |
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SMILES | [H][C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=C(Cl)N=C12 |
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InChI Identifier | InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1 |
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InChI Key | WDDPHFBMKLOVOX-AYQXTPAHSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as purine 2'-deoxyribonucleosides. Purine 2'-deoxyribonucleosides are compounds consisting of a purine linked to a ribose which lacks a hydroxyl group at position 2. |
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Kingdom | Organic compounds |
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Super Class | Nucleosides, nucleotides, and analogues |
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Class | Purine nucleosides |
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Sub Class | Purine 2'-deoxyribonucleosides |
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Direct Parent | Purine 2'-deoxyribonucleosides |
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Alternative Parents | |
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Substituents | - Purine 2'-deoxyribonucleoside
- 6-aminopurine
- Imidazopyrimidine
- Purine
- Aminopyrimidine
- 2-halopyrimidine
- Halopyrimidine
- Aryl chloride
- Aryl halide
- N-substituted imidazole
- Imidolactam
- Pyrimidine
- Azole
- Heteroaromatic compound
- Imidazole
- Tetrahydrofuran
- Secondary alcohol
- Fluorohydrin
- Halohydrin
- Organoheterocyclic compound
- Oxacycle
- Azacycle
- Primary alcohol
- Organohalogen compound
- Organochloride
- Alkyl fluoride
- Alcohol
- Organofluoride
- Organonitrogen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Organic oxygen compound
- Amine
- Primary amine
- Organooxygen compound
- Alkyl halide
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 4.89 g/L | Not Available | LogP | 0 | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Clofarabine,1TMS,isomer #1 | C[Si](C)(C)O[C@H]1[C@H](F)[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1CO | 2592.2 | Semi standard non polar | 33892256 | Clofarabine,1TMS,isomer #2 | C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O | 2598.4 | Semi standard non polar | 33892256 | Clofarabine,1TMS,isomer #3 | C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F | 2624.4 | Semi standard non polar | 33892256 | Clofarabine,2TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O[Si](C)(C)C | 2563.1 | Semi standard non polar | 33892256 | Clofarabine,2TMS,isomer #2 | C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1F | 2555.2 | Semi standard non polar | 33892256 | Clofarabine,2TMS,isomer #3 | C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1F | 2576.7 | Semi standard non polar | 33892256 | Clofarabine,2TMS,isomer #4 | C[Si](C)(C)N(C1=NC(Cl)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F)[Si](C)(C)C | 2582.7 | Semi standard non polar | 33892256 | Clofarabine,3TMS,isomer #1 | C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1F | 2565.6 | Semi standard non polar | 33892256 | Clofarabine,3TMS,isomer #1 | C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1F | 2610.5 | Standard non polar | 33892256 | Clofarabine,3TMS,isomer #1 | C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1F | 3390.9 | Standard polar | 33892256 | Clofarabine,3TMS,isomer #2 | C[Si](C)(C)O[C@H]1[C@H](F)[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1CO | 2565.7 | Semi standard non polar | 33892256 | Clofarabine,3TMS,isomer #2 | C[Si](C)(C)O[C@H]1[C@H](F)[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1CO | 2693.5 | Standard non polar | 33892256 | Clofarabine,3TMS,isomer #2 | C[Si](C)(C)O[C@H]1[C@H](F)[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1CO | 3164.7 | Standard polar | 33892256 | Clofarabine,3TMS,isomer #3 | C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O | 2565.5 | Semi standard non polar | 33892256 | Clofarabine,3TMS,isomer #3 | C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O | 2707.1 | Standard non polar | 33892256 | Clofarabine,3TMS,isomer #3 | C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O | 3281.5 | Standard polar | 33892256 | Clofarabine,4TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O[Si](C)(C)C | 2604.1 | Semi standard non polar | 33892256 | Clofarabine,4TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O[Si](C)(C)C | 2699.3 | Standard non polar | 33892256 | Clofarabine,4TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O[Si](C)(C)C | 2944.2 | Standard polar | 33892256 | Clofarabine,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](F)[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1CO | 2789.5 | Semi standard non polar | 33892256 | Clofarabine,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O | 2818.7 | Semi standard non polar | 33892256 | Clofarabine,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F | 2817.2 | Semi standard non polar | 33892256 | Clofarabine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O[Si](C)(C)C(C)(C)C | 2972.8 | Semi standard non polar | 33892256 | Clofarabine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1F | 2949.8 | Semi standard non polar | 33892256 | Clofarabine,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1F | 2990.0 | Semi standard non polar | 33892256 | Clofarabine,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N(C1=NC(Cl)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F)[Si](C)(C)C(C)(C)C | 2938.5 | Semi standard non polar | 33892256 | Clofarabine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1F | 3165.6 | Semi standard non polar | 33892256 | Clofarabine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1F | 3232.0 | Standard non polar | 33892256 | Clofarabine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1F | 3551.6 | Standard polar | 33892256 | Clofarabine,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](F)[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)O[C@@H]1CO | 3097.6 | Semi standard non polar | 33892256 | Clofarabine,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](F)[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)O[C@@H]1CO | 3291.7 | Standard non polar | 33892256 | Clofarabine,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](F)[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)O[C@@H]1CO | 3368.0 | Standard polar | 33892256 | Clofarabine,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O | 3104.1 | Semi standard non polar | 33892256 | Clofarabine,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O | 3308.0 | Standard non polar | 33892256 | Clofarabine,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O | 3448.4 | Standard polar | 33892256 | Clofarabine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O[Si](C)(C)C(C)(C)C | 3296.9 | Semi standard non polar | 33892256 | Clofarabine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O[Si](C)(C)C(C)(C)C | 3453.8 | Standard non polar | 33892256 | Clofarabine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(Cl)N=C32)[C@@H](F)[C@@H]1O[Si](C)(C)C(C)(C)C | 3291.2 | Standard polar | 33892256 |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Clofarabine GC-MS (Non-derivatized) - 70eV, Positive | splash10-0006-9120000000-e007ae055e3973489f73 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Clofarabine GC-MS (2 TMS) - 70eV, Positive | splash10-014i-5932000000-049fdb03acd50f8641cd | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Clofarabine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental LC-MS/MS | LC-MS/MS Spectrum - Clofarabine LC-ESI-qTof , Positive-QTOF | splash10-00di-1903000000-294bd193e470f829e963 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Clofarabine , positive-QTOF | splash10-00di-1903000000-294bd193e470f829e963 | 2017-09-14 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Clofarabine 10V, Positive-QTOF | splash10-00di-0900000000-f17f83cd8dba3d2082b9 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Clofarabine 20V, Positive-QTOF | splash10-00di-0900000000-34b5bafd796f8fec0b13 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Clofarabine 40V, Positive-QTOF | splash10-0ac0-0900000000-640ac0c897663dd584db | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Clofarabine 10V, Negative-QTOF | splash10-0udu-0294000000-9ccca97e93ca09d3e79d | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Clofarabine 20V, Negative-QTOF | splash10-02ai-0930000000-1ebe1a63cd5892cdfd92 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Clofarabine 40V, Negative-QTOF | splash10-00lr-4900000000-3c46b8a6d7f8a4613053 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Clofarabine 10V, Positive-QTOF | splash10-0udi-0009000000-1af7904d14871bec8a67 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Clofarabine 20V, Positive-QTOF | splash10-0fk9-0917000000-15b1ecd2b1188e88b372 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Clofarabine 40V, Positive-QTOF | splash10-00di-0900000000-fd24e31d93950d4700af | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Clofarabine 10V, Negative-QTOF | splash10-0uxr-0918000000-94af832b5c48122f117c | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Clofarabine 20V, Negative-QTOF | splash10-0159-1912000000-7f7acae965d15494a18a | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Clofarabine 40V, Negative-QTOF | splash10-001i-1900000000-81c29daed3cbc015348c | 2021-10-11 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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Blood | Expected but not Quantified | Not Quantified | Not Available | Not Available | Taking drug identified by DrugBank entry DB00631 | | details | Urine | Expected but not Quantified | Not Quantified | Not Available | Not Available | Taking drug identified by DrugBank entry DB00631 | | details |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | DB00631 |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 106472 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Clofarabine |
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METLIN ID | Not Available |
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PubChem Compound | 119182 |
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PDB ID | Not Available |
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ChEBI ID | 681569 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Zhenchuk A, Lotfi K, Juliusson G, Albertioni F: Mechanisms of anti-cancer action and pharmacology of clofarabine. Biochem Pharmacol. 2009 Dec 1;78(11):1351-9. doi: 10.1016/j.bcp.2009.06.094. Epub 2009 Jul 1. [PubMed:19576186 ]
- Larson ML, Venugopal P: Clofarabine: a new treatment option for patients with acute myeloid leukemia. Expert Opin Pharmacother. 2009 Jun;10(8):1353-7. doi: 10.1517/14656560902997990. [PubMed:19463072 ]
- Pession A, Masetti R, Kleinschmidt K, Martoni A: Use of clofarabine for acute childhood leukemia. Biologics. 2010 Jun 24;4:111-8. [PubMed:20631817 ]
- Harned TM, Gaynon PS: Treating refractory leukemias in childhood, role of clofarabine. Ther Clin Risk Manag. 2008 Apr;4(2):327-36. [PubMed:18728851 ]
- Lech-Maranda E, Korycka A, Robak T: Clofarabine as a novel nucleoside analogue approved to treat patients with haematological malignancies: mechanism of action and clinical activity. Mini Rev Med Chem. 2009 Jun;9(7):805-12. [PubMed:19519505 ]
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