LP117

Name: LP117
CAS#: 1056468-55-3
Chemical Formula: C21H23ClN4O2S
Exact Mass: 430.123
Molecular Weight: 430.951
Elemental Analysis: C, 58.53; H, 5.38; Cl, 8.23; N, 13.00; O, 7.42; S, 7.44

Description: LP117 is a novel drug-specific modulator of ABCB1-mediated drug transport.

IUPAC/Chemical Name: Ethyl 2-((4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl)thio)hexanoate

InChi Key: PGDAEUTURQTTPZ-UHFFFAOYSA-N

InChi Code: InChI=1S/C21H23ClN4O2S/c1-3-5-8-17(20(27)28-4-2)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,3-5,8H2,1-2H3,(H,24,25,26)

SMILES Code: CCCCC(SC1=NC(NC2=CC=C3N=CC=CC3=C2)=CC(Cl)=N1)C(OCC)=O

Appearance: Solid powder