WS-691 - CAS 2035417-32-2

WS-691 is a highly Potent and Orally Active ABCB1 Modulator. WS-691 significantly increased sensitization of ABCB1-overexpressed SW620/Ad300 cells to paclitaxel (PTX) (IC50 = 22.02 nM). WS-691 significantly increased the intracellular concentration of PTX and [3H]-PTX while decreasing the efflux of [3H]- PTX in SW620/Ad300 cells by inhibiting the efflux function of ABCB1. WS-691 could stabilize ABCB1 by directly binding to ABCB1 WS-691 increased the sensitivity of SW620/Ad300 cells to PTX in vivo without observed toxicity.

Catalog Number: I038342

CAS Number: 2035417-32-2

Molecular Formula: C20H16FN7S

Molecular Weight:405.4554

Purity: 98.0%

Appearance:Solid powder

* For research use only. Not for human or veterinary use.

Synonym

SynonymsWS-691; WS691; WS 691;

Property

Molecular Formula: C20H16FN7S
Molecular Weight405.4554
SolubilitySoluble in DMSO
Purity98.0%
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Computed Descriptor

IUPAC Name2-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-N-(4-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
InChIInChI=1S/C20H16FN7S/c1-12-10-18(23-14-8-6-13(21)7-9-14)28-19(22-12)26-20(27-28)29-11-17-24-15-4-2-3-5-16(15)25-17/h2-10,23H,11H2,1H3,(H,24,25)
InChIKeyZGRDQSSNSDLZLJ-UHFFFAOYSA-N
SMILESFC1=CC=C(NC2=CC(C)=NC3=NC(SCC4=NC(C=CC=C5)=C5N4)=NN32)C=C1