171596-27-3
- Name: 12-epi-TadalafilTadalafil
- Chemical 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
- CAS Number: 171596-27-3
- Molecular Formula: C22H19N3O4
- Molecular Weight: 389.40
- Catalog: Signaling Pathways Metabolic Enzyme/Protease Phosphodiesterase (PDE)
- Create Date: 2018-08-31 19:16:30
- Modify Date: 2024-01-02 22:20:08
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cis-Tadalafil is a PDE5 inhibitor (IC50: 0.09 μM). cis-Tadalafil can be used for research of cardiovascular diseases[1].
| 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 |
|---|---|
| Synonyms |
UNII-E319TQ0B6R
cis-ent-Tadalafil PYR403 12-epi-TadalafilTadalafil Tadalafil Impurity 13 |
| Description | cis-Tadalafil is a PDE5 inhibitor (IC50: 0.09 μM). cis-Tadalafil can be used for research of cardiovascular diseases[1]. |
|---|---|
| Related Catalog | |
| Target |
PDE5:0.09 μM (IC50) |
| In Vitro | cis-Tadalafil (Compound 12b) 抑制 PDE5，IC50 为 0.09 μM[1]。 |
| References |
| Density | 1.51±0.1 g/cm3 (20 ºC 760 Torr) |
|---|---|
| Melting Point | 295-296 ºC |
| Molecular Formula | C22H19N3O4 |
| Molecular Weight | 389.40 |
| Exact Mass | 389.13800 |
| PSA | 74.87000 |
| LogP | 2.08710 |
| Water Solubility | Insuluble (8.6E-3 g/L) (25 ºC) |
|
~95%
171596-27-3 |
| Literature: Tetrahedron Asymmetry, , vol. 19, # 4 p. 435 - 442 |
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~81%
171596-27-3 |
| Literature: Journal of Medicinal Chemistry, , vol. 46, # 21 p. 4533 - 4542 |
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~1%
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| Literature: Bioorganic and Medicinal Chemistry, , vol. 12, # 6 p. 1505 - 1515 |
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~%
171596-27-3 |
| Literature: Journal of Medicinal Chemistry, , vol. 46, # 21 p. 4533 - 4542 |
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~%
171596-27-3 |
| Literature: Journal of Medicinal Chemistry, , vol. 46, # 21 p. 4533 - 4542 |
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~%
171596-27-3 |
| Literature: Journal of Medicinal Chemistry, , vol. 46, # 21 p. 4533 - 4542 |
|
~%
171596-27-3 |
| Literature: Bioorganic and Medicinal Chemistry, , vol. 12, # 6 p. 1505 - 1515 |
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~%
171596-27-3 |
| Literature: Bioorganic and Medicinal Chemistry, , vol. 12, # 6 p. 1505 - 1515 |
| Precursor 9 | |
|---|---|
| DownStream 0 | |