Introduction：Basic information about CAS 57704-16-2|4-amino-5-(methoxycarbonyl)thiophene-2-carboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-amino-5-(methoxycarbonyl)thiophene-2-carboxylic acid |
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| CAS Number | 57704-16-2 | Molecular Weight | 277.35900 |
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| Density | 1.139g/cm3 | Boiling Point | 433ºC at 760mmHg |
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| Molecular Formula | C16H23NO3 | Melting Point | 41-49ºC |
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| MSDS | / | Flash Point | 215.7ºC |
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Names
| Name | 1'-Hydroxy Bufuralol |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | 1'-Hydroxy bufuralol, the main metabolite of bufuralol, can reflect CYP2D activity[1]. |
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| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Metabolic Disease |
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| References | [1]. Evangelos P Daskalopoulos, et al. D₂-dopaminergic receptor-linked pathways: critical regulators of CYP3A, CYP2C, and CYP2D. Mol Pharmacol. 2012 Oct;82(4):668-78. [2]. H Yamazaki, et al. Bufuralol hydroxylation by cytochrome P450 2D6 and 1A2 enzymes in human liver microsomes. Mol Pharmacol. 1994 Sep;46(3):568-77. |
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Chemical & Physical Properties
| Density | 1.139g/cm3 |
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| Boiling Point | 433ºC at 760mmHg |
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| Melting Point | 41-49ºC |
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| Molecular Formula | C16H23NO3 |
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| Molecular Weight | 277.35900 |
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| Flash Point | 215.7ºC |
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| Exact Mass | 277.16800 |
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| PSA | 65.63000 |
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| LogP | 3.29850 |
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| Index of Refraction | 1.577 |
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| InChIKey | GTYMTYBCXVOBBB-UHFFFAOYSA-N |
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| SMILES | CC(O)c1cccc2cc(C(O)CNC(C)(C)C)oc12 |
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Synonyms
| 2-(tert-butylamino)-1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]ethanol |
| 4-amino-5-(methoxycarbonyl)thiophene-2-carboxylic acid |
