CAS 790305-05-4|ITMN 4077
Introduction：Basic information about CAS 790305-05-4|ITMN 4077, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | ITMN 4077 | ||
|---|---|---|---|
| CAS Number | 790305-05-4 | Molecular Weight | 568.6828 |
| Density | / | Boiling Point | / |
| Molecular Formula | C26H40N4O8S | Melting Point | / |
| MSDS | / | Flash Point | / |
Names
| Name | ITMN 4077 |
|---|
ITMN 4077 BiologicalActivity
| Description | ITMN 4077 is a macrocyclic inhibitor against Hepatitis C Virus (HCV) NS3 protease (EC50: 2131 nM)[1][2]. |
|---|---|
| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Metabolic Enzyme/Protease >>HCV Protease |
| Target | HCV NS3 protease[2] |
| References | [1]. Rajagopalan R, et al. Inhibition and binding kinetics of the hepatitis C virus NS3 protease inhibitor ITMN-191 reveals tight binding and slow dissociative behavior. Biochemistry. 2009 Mar 24;48(11):2559-68. [2]. Jiang Y, et al. Discovery of danoprevir (ITMN-191/R7227), a highly selective and potent inhibitor of hepatitis C virus (HCV) NS3/4A protease. J Med Chem. 2014 Mar 13;57(5):1753-69. |
Chemical & Physical Properties
| Molecular Formula | C26H40N4O8S |
|---|---|
| Molecular Weight | 568.6828 |
| InChIKey | MXGKXZHTCMUVEE-JXUUZEIMSA-N |
| SMILES | CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CC(O)CN2C1=O |
