Introduction：Basic information about CAS 503612-76-8|O-Desmethyl apixaban, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | O-Desmethyl apixaban |
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| CAS Number | 503612-76-8 | Molecular Weight | 445.47100 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C24H23N5O4 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 1-(4-hydroxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide |
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| Synonym | More Synonyms |
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O-Desmethyl apixaban BiologicalActivity
| Description | O-Desmethyl apixaban is a metabolite of Apixaban (BMS-562247-01)[1]. Apixaban is a highly selective, reversible inhibitor of Factor Xa with Ki of 0.08 nM and 0.17 nM in human and rabbit, respectively[2]. |
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| Related Catalog | Research Areas >>Cardiovascular Disease |
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| References | [1]. Pinto DJ, et al. Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem. 2007 Nov 1;50(22):5339-56. [2]. Raghavan N, et al. Apixaban metabolism and pharmacokinetics after oral administration to humans. Drug Metab Dispos. 2009 Jan;37(1):74-81. |
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Chemical & Physical Properties
| Molecular Formula | C24H23N5O4 |
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| Molecular Weight | 445.47100 |
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| Exact Mass | 445.17500 |
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| PSA | 122.75000 |
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| LogP | 3.41080 |
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| InChIKey | HGHLWAZFIGRAOT-UHFFFAOYSA-N |
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| SMILES | NC(=O)c1nn(-c2ccc(O)cc2)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O |
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Synonyms
| 4-Demethoxy-4-hydroxy Apixaban |
| O-demethyl-apixaban |
| Apixaban Impurity 18 |
