Ciluprevir

Ciluprevir
Clinical data

ATC code	none
Legal status
Legal status	Investigational
Identifiers
IUPAC name (1S,4R,6S,7Z,14S,18R)-14- {[(cyclopentyloxy)carbonyl]amino}-18-[(7-methoxy-2- {2-[(propan-2-yl)amino]-1,3-thiazol-4-yl}quinolin-4- yl)oxy]-2,15-dioxo-3,16- diazatricyclo[14.3.0.0^{4,6}]nonadec-7-ene-4- carboxylic acid
CAS Number	300832-84-2
PubChem (CID)	9853710
ChemSpider	8029420
UNII	75C8DU40T0^Y
ChEMBL	CHEMBL297884
Chemical and physical data
Formula	C₄₀H₅₀N₆O₈S
Molar mass	774.93 g/mol
3D model (Jmol)	Interactive image
SMILES O=C2N[C@]7(C(=O)O)C[C@H]7/C=C\CCCCC[C@H](NC(=O)OC1CCCC1)C(=O)N6[C@H]2C[C@@H](Oc3cc(nc4c3ccc(OC)c4)c5nc(sc5)NC(C)C)C6
InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1 Key:PJZPDFUUXKKDNB-KNINVFKUSA-N

Ciluprevir is used experimentally in the treatment of hepatitis C. It is manufactured by Boehringer Ingelheim Pharma GmbH & Co. kg and developed under the research code of BILN-2061. It is targeted against NS2-3 protease.^[1]

References

↑ Abbenante, G; Fairlie, DP (2005). "Protease inhibitors in the clinic". Medicinal chemistry. 1 (1): 71–104. doi:10.2174/1573406053402569. PMID 16789888.

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