Introduction：Basic information about CAS 1190308-01-0|PSI-7976, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | PSI-7976 |
|---|
| CAS Number | 1190308-01-0 | Molecular Weight | 529.45300 |
|---|
| Density | / | Boiling Point | / |
|---|
| Molecular Formula | C22H29FN3O9P | Melting Point | / |
|---|
| MSDS | / | Flash Point | / |
|---|
Names
| Name | Sofosbuvir Impurity 27 |
|---|
| Synonym | More Synonyms |
|---|
PSI-7976 BiologicalActivity
| Description | PSI-7976 is the isomer of PSI-7977. PSI-7977 is an active inhibitor of HCV RNA replication in the HCV replicon assay, demonstrates potent anti-hepatitis C virus (HCV) activity. |
|---|
| Related Catalog | Signaling Pathways >>Anti-infection >>HCVResearch Areas >>Infection |
|---|
| In Vitro | PSI-7851 is a mixture of two diastereoisomers, PSI-7976 and PSI-7977, with PSI-7977 being the more active inhibitor of HCV RNA replication in the HCV replicon assay. Carboxylesterase 1 (CES1) preferentially hydrolyzes PSI-7976 over PSI-7977. The kinetic data also indicates that PSI-7976 is a better substrate for CES1 than for cathepsin A (CatA)[1] |
|---|
| References | [1]. Murakami E, et al. Mechanism of activation of PSI-7851 and its diastereoisomer PSI-7977. J Biol Chem. 2010 Nov 5;285(45):34337-47. |
|---|
Chemical & Physical Properties
| Molecular Formula | C22H29FN3O9P |
|---|
| Molecular Weight | 529.45300 |
|---|
| Exact Mass | 529.16300 |
|---|
| PSA | 167.99000 |
|---|
| LogP | 2.04740 |
|---|
| InChIKey | TTZHDVOVKQGIBA-YBSJRAAASA-N |
|---|
| SMILES | CC(C)OC(=O)C(C)NP(=O)(OCC1OC(n2ccc(=O)[nH]c2=O)C(C)(F)C1O)Oc1ccccc1 |
|---|
| Storage condition | 2-8℃ |
|---|
Synonyms
| (S)-2-{(R)-[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-ylmethoxy](phenoxy)phosphorylamino}propionic acid isopropyl ester |
| PSI-7976 |
| (S)((((2R,3R,4R,5R)-5-(2,4-dicarbonyl-3,4-dihydropyrimidine-1(2Η)-yl)-4-fluoro-3-hydroxy-4-tetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alanine isopropyl ester |
| (2S)-isopropyl 2-(((((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4- methyltetrahydrofuran-2-yl)methoxy)phenoxyphosphoryl)amino)propanoate |
| (S)-isopropyl 2-((R)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)propionoate |
| (S)-2-{(R)-[(1R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-(R)-fluoro-3-hydroxy-4-methyI-tetrahydro-furan-2-ylmethoxy]-phenoxy-phosphorylamino}propionic acid (S)-isopropyl ester |
