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Description: LCL161 (LCL-161) is a novel and potent SMAC (second mitochondrial-derived activator of caspases) mimetic agent with potential anticancer activity, acting by potently binding to and inhibiting multiple IAP (inhibitor of apoptosis) proteins such as XIAP and c-IAP. It inhibits XIAP in HEK293 cells and cIAP1 in MDA-MB-231 cells with IC50s of 35 and 0.4 nM, respectively. LCL161 showed anti proliferative activities in two human hepatocellular carcinoma (HCC) cells, Hep3B and PLC5 with IC50 values of 10 and 19 uM, respectively.
References: Biochem Pharmacol. 2012 Aug 1; 84(3):268-77; Pediatr Blood Cancer. 2012 Apr; 58(4):636-9.
Synonym: LCL161; LCL 161; LCL-161
Chemical Name: (S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(4-fluorobenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide
InChi Key: UFPFGVNKHCLJJO-SSKFGXFMSA-N
InChi Code: InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13, 15-17, 21-22, 28H, 3-9, 14H2, 1-2H3, (H, 30, 33)/t16-, 21-, 22-/m0/s1
SMILES Code: C[CH](NC)C(N[CH](C1CCCCC1)C(N2[CH](C3=NC(C(C4=CC=C(F)C=C4)=O)=CS3)CCC2)=O)=O
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