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S63845 Catalog No : 171071

Chemical Information

Product NameS63845
Iupac Chemical Name (R)-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-((1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)methoxy)phenyl)propanoic acid
SynonymsS63845; S-63845
Molecular FormulaC39H37ClF4N6O6S
Molecular Weight828.212
SmileO=C(O)[C@H](OC1=C(C(C2=CC=C(OCCN3CCN(C)CC3)C(Cl)=C2C)=C(C4=CC=C(F)O4)S5)C5=NC=N1)CC6=CC=CC=C6OCC7=CC=NN7CC(F)(F)F
InChiKeyZFBHXVOCZBPADE-SSEXGKCCSA-N
InChiInChI=1S/C39H37ClF4N6O6S/c1-23-26(7-8-28(34(23)40)53-18-17-49-15-13-48(2)14-16-49)32-33-36(45-22-46-37(33)57-35(32)29-9-10-31(41)55-29)56-30(38(51)52)19-24-5-3-4-6-27(24)54-20-25-11-12-47-50(25)21-39(42,43)44/h3-12,22,30H,13-21H2,1-2H3,(H,51,52)/t30-/m1/s1
Cas1799633-27-4

Technical Data

Appearanceoff-white solid
Purity>98%
SolubilitySoluble in DMSO, not in water
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Shipping ConditionShipped under ambient temperature as non-hazardous chemical.
Quality control

Description

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. In vivo, S63845 shows potent anti-tumour activity with an acceptable safety margin as a single agent in several cancers. Moreover, MCL1 inhibition, either alone or in combination with other anti-cancer drugs, proved effective against several solid cancer-derived cell lines.

Chemical Structure

171071 - S63845 | CAS 1799633-27-4

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