Introduction：Basic information about CAS 811811-33-3|2-Thiophenecarboxamide, 5-chloro-N-[(1R)-1-(methoxymethyl)-2-[[3-methyl-4-(3-oxo-4-m, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Thiophenecarboxamide, 5-chloro-N-[(1R)-1-(methoxymethyl)-2-[[3-methyl-4-(3-oxo-4-morpholinyl)phenyl]amino]-2-oxoethyl]- |
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| CAS Number | 811811-33-3 | Molecular Weight | 451.92 |
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| Density | 1.393g/cm3 | Boiling Point | 786.902ºC at 760 mmHg |
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| Molecular Formula | C20H22ClN3O5S | Melting Point | / |
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| MSDS | / | Flash Point | 429.703ºC |
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Names
| Name | 2-Thiophenecarboxamide, 5-chloro-N-[(1R)-1-(methoxymethyl)-2-[[3-methyl-4-(3-oxo-4-morpholinyl)phenyl]amino]-2-oxoethyl] |
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BiologicalActivity
| Description | EMD 495235 is a potent and orally active coagulation factor Xa inhibitor with an IC50 of 5.5 nM and a Ki of 6.8 nM. EMD 495235 shows anticoagulant activities[1]. |
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| Related Catalog | Research Areas >>Cardiovascular DiseaseSignaling Pathways >>Metabolic Enzyme/Protease >>Factor Xa |
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| Target | IC50: 5.5 nM (factor Xa)[1]. Ki: 6.8 nM (human factor Xa)[1]. |
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| References | [1]. Werner W K R Mederski, et al. Chlorothiophenecarboxamides as P1 surrogates of inhibitors of blood coagulation factor Xa. Bioorg Med Chem Lett. 2004 Dec 6;14(23):5817-22. |
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Chemical & Physical Properties
| Density | 1.393g/cm3 |
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| Boiling Point | 786.902ºC at 760 mmHg |
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| Molecular Formula | C20H22ClN3O5S |
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| Molecular Weight | 451.92 |
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| Flash Point | 429.703ºC |
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| Exact Mass | 451.09700 |
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| PSA | 125.21000 |
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| LogP | 2.98550 |
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| Index of Refraction | 1.625 |
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| InChIKey | ZJKUSSXXGFPAIZ-CQSZACIVSA-N |
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| SMILES | COCC(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 |
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