790305-05-4
790305-05-4
Chemical Structure
ITMN 4077
- CAS No.: 790305-05-4
- Formula:C26H40N4O8S
- Molecular Weight:568.68
IUPAC Name: tert-butyl ((2R,6S,13aS,14aR,16aS,Z)-14a-((cyclopropylsulfonyl)carbamoyl)-2-hydroxy-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl)carbamate
InChIKey: MXGKXZHTCMUVEE-JXUUZEIMSA-N
SMILES: O=C(N1)[C@@H]2C[C@@H](O)CN2C([C@@H](NC(OC(C)(C)C)=O)CCCCC/C=C\[C@H](C3)[C@]13C(NS(C4CC4)(=O)=O)=O)=O
Biological Activity: ITMN 4077 is a macrocyclic inhibitor against Hepatitis C Virus (HCV) NS3 protease (EC50: 2131 nM)[1][2].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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ITMN 4077 | 99.65% | ITMN 4077 is a macrocyclic inhibitor against Hepatitis C Virus (HCV) NS3 protease (EC50: 2131 nM). | ||||||||||||||||||||
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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. [Content Brief]
- [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. [Content Brief]
Keywords
