LCL161

주요 정보

CAS 번호

1005342-46-0

Purity

>99%

제형

Solid

form

Molecular weight

500.6 Da

Molecular formula

C₂₆H₃₃FN₄O₃S

PubChem

24737642

Nature

Synthetic

생화학적 명칭

Lcl-161

생물학적 정보

Small molecule SMAC mimetic inhibitor of multiple IAP (Inhibitor of apoptosis) family proteins. (IC₅₀ = 10.23 μM). Inhibits cell proliferation and viability in two human hepatocellular carcinoma cells (Hep3B, IC₅₀ = 10, and PLC5, IC₅₀ = 19).

Canonical SMILES

CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC

InChi

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

InChiKey

UFPFGVNKHCLJJO-SSKFGXFMSA-N

IUPAC Name

(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide