Introduction：Basic information about CAS 171596-27-3|12-epi-TadalafilTadalafil, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 12-epi-TadalafilTadalafil |
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| CAS Number | 171596-27-3 | Molecular Weight | 389.40 |
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| Density | 1.51±0.1 g/cm3 (20 ºC 760 Torr) | Boiling Point | / |
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| Molecular Formula | C22H19N3O4 | Melting Point | 295-296 ºC |
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| MSDS | / | Flash Point | / |
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Names
| Name | (6R,12aS)-2,3,6,7,12,12a-hexahydro-2-methyl-6-(3,4-methylenedioxyphenyl)-pyrazino[2',1':6,1]pyrido[3,4-b]indole-1,4-dione |
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| Synonym | More Synonyms |
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12-epi-TadalafilTadalafil BiologicalActivity
| Description | cis-Tadalafil is a PDE5 inhibitor (IC50: 0.09 μM). cis-Tadalafil can be used for research of cardiovascular diseases[1]. |
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| Related Catalog | Research Areas >>Cardiovascular DiseaseSignaling Pathways >>Metabolic Enzyme/Protease >>Phosphodiesterase (PDE) |
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| Target | PDE5:0.09 μM (IC50) |
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| In Vitro | cis-Tadalafil (Compound 12b) 抑制 PDE5，IC50 为 0.09 μM[1]。 |
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| References | [1]. Daugan A, et al. The discovery of tadalafil: a novel and highly selective PDE5 inhibitor. 2: 2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione analogues. J Med Chem. 2003 Oct 9;46(21):4533-42. |
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Chemical & Physical Properties
| Density | 1.51±0.1 g/cm3 (20 ºC 760 Torr) |
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| Melting Point | 295-296 ºC |
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| Molecular Formula | C22H19N3O4 |
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| Molecular Weight | 389.40 |
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| Exact Mass | 389.13800 |
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| PSA | 74.87000 |
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| LogP | 2.08710 |
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| InChIKey | WOXKDUGGOYFFRN-HRAATJIYSA-N |
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| SMILES | CN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccc3c(c2)OCO3)C1=O |
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| Water Solubility | Insuluble (8.6E-3 g/L) (25 ºC) |
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Synonyms
| UNII-E319TQ0B6R |
| cis-ent-Tadalafil |
| PYR403 |
| 12-epi-TadalafilTadalafil |
| Tadalafil Impurity 13 |
