ent-Tadalafil
ent-Tadalafil structure
|
Common Name | ent-Tadalafil | ||
|---|---|---|---|---|
| CAS Number | 629652-72-8 | Molecular Weight | 389.40400 | |
| Density | 1.51±0.1 g/cm3 (20 ºC 760 Torr) | Boiling Point | N/A | |
| Molecular Formula | C22H19N3O4 | Melting Point | 302-304 ºC | |
| MSDS | N/A | Flash Point | N/A | |
Use of ent-Tadalafilent-Tadalafil (ent-IC-351), compound (6S,12aS), is a inactive cis-enantiomer of compound (6R,12aS). compound (6R,12aS) is a potent PDE5 inhibitor with an IC50 of 0.090 μM, while ent-Tadalafil is inactive at concentrations up to 10 µM[1]. |
| Name | (6S,12aS)-tadalafil |
|---|---|
| Synonym | More Synonyms |
| Description | ent-Tadalafil (ent-IC-351), compound (6S,12aS), is a inactive cis-enantiomer of compound (6R,12aS). compound (6R,12aS) is a potent PDE5 inhibitor with an IC50 of 0.090 μM, while ent-Tadalafil is inactive at concentrations up to 10 µM[1]. |
|---|---|
| Related Catalog | |
| Target |
PDE5:10 μM (IC50) |
| References |
| Density | 1.51±0.1 g/cm3 (20 ºC 760 Torr) |
|---|---|
| Melting Point | 302-304 ºC |
| Molecular Formula | C22H19N3O4 |
| Molecular Weight | 389.40400 |
| Exact Mass | 389.13800 |
| PSA | 74.87000 |
| LogP | 2.08710 |
| InChIKey | WOXKDUGGOYFFRN-KKSFZXQISA-N |
| SMILES | CN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccc3c(c2)OCO3)C1=O |
| Water Solubility | Insuluble (8.6E-3 g/L) (25 ºC) |
|
~72%
ent-Tadalafil CAS#:629652-72-8 |
| Literature: Daugan, Alain; Grondin, Pascal; Ruault, Cecile; Le Monnier de Gouville, Anne-Charlotte; Coste, Herve; Linget, Jean Michel; Kirilovsky, Jorge; Hyafil, Francois; Labaudinieret, Richard Journal of Medicinal Chemistry, 2003 , vol. 46, # 21 p. 4533 - 4542 |
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~%
ent-Tadalafil CAS#:629652-72-8 |
| Literature: Journal of Medicinal Chemistry, , vol. 46, # 21 p. 4533 - 4542 |
|
~%
ent-Tadalafil CAS#:629652-72-8 |
| Literature: Journal of Medicinal Chemistry, , vol. 46, # 21 p. 4533 - 4542 |
|
~%
ent-Tadalafil CAS#:629652-72-8 |
| Literature: Journal of Medicinal Chemistry, , vol. 46, # 21 p. 4533 - 4542 |
|
~18%
ent-Tadalafil CAS#:629652-72-8 |
| Literature: Bioorganic and Medicinal Chemistry, , vol. 12, # 6 p. 1505 - 1515 |
|
~%
ent-Tadalafil CAS#:629652-72-8 |
| Literature: Bioorganic and Medicinal Chemistry, , vol. 12, # 6 p. 1505 - 1515 |
|
~%
ent-Tadalafil CAS#:629652-72-8 |
| Literature: Bioorganic and Medicinal Chemistry, , vol. 12, # 6 p. 1505 - 1515 |
![methyl (1S,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate structure](https://image.chemsrc.com/caspic/014/629652-42-2.png)
![(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester structure](https://image.chemsrc.com/caspic/167/171596-43-3.png)
![methyl (1S,3R)-1-(1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate structure](https://image.chemsrc.com/caspic/090/629652-40-0.png)
![methyl (1S,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate structure](https://image.chemsrc.com/caspic/205/171596-42-2.png)
| Precursor 8 | |
|---|---|
| DownStream 1 | |
| L-Tildenafil |
| L-Tadalafil |
| ent-Tadalafil |
| UNII-HZ6QJN0D4Z |
| Tadalafil Impurity 12 |