Products 1799633-27-4

CAS 1799633-27-4 appears in our catalog under these names: S63845/ 98.56% (existing batch purity), S63845, S 63845, S63845 98%, (αR)-α-[[(5S)-5-[3-Chloro-2-methyl-4-[2-(4-methyl-1-piperazinyl)ethoxy]phenyl]-6-(5-fluoro-2-furanyl)thieno[2,3-d]pyrimidin-4-yl]oxy]-2-[[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]methoxy]benzenepropanoic acid, 98%, 98%. Offered by: TargetMol, GLPBio, Biosynth, Ambeed, Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 10mM (in 1ml dmso), 100mg, 100 mg.

Structural formula: {0} (CAS {1})

S63845 is a potent and selective myeloid cell leukemia 1 (MCL1) inhibitor with a Kd of 0.19 nM for human MCL1. S63845 is a small molecule that specifically binds with high affinity to the BH3-binding groove of MCL1. S63845 potently kills MCL1-dependent cancer cells, including multiple myeloma, leukaemia and lymphoma cells, by activating the BAX/BAK-dependent mitochondrial apoptotic pathway.

Source: ChEBI

Identity
Molecular formulaC39H37ClF4N6O6S
Molecular weight829.3 g/mol
IUPAC name(2R)-2-[5-[3-chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]propanoic acid
InChIKeyZFBHXVOCZBPADE-SSEXGKCCSA-N
SMILESCC1=C(C=CC(=C1Cl)OCCN2CCN(CC2)C)C3=C(SC4=NC=NC(=C34)O[C@H](CC5=CC=CC=C5OCC6=CC=NN6CC(F)(F)F)C(=O)O)C7=CC=C(O7)F

Computed by PubChem (NCBI)