Name: MSC2360844 hemifumarate
Rating: 5 (10 reviews)

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HIT ID:HIT214322690
Cas No:1621688-31-0
常用名:MSC2360844 hemifumarate
IUPAC:(2E)-but-2-enedioic acid; bis(6-fluoro-1-{4-[(morpholin-4-yl)methyl]phenyl}-3-(morpholine-4-carbonyl)-1H,4H-5lambda6-thiochromeno[4,3-c]pyrazole-5,5-dione)
IUPAC:(2E)-but-2-enedioic acid; bis(6-fluoro-1-{4-[(morpholin-4-yl)methyl]phenyl}-3-(morpholine-4-carbonyl)-1H,4H-5lambda6-thiochromeno[4,3-c]pyrazole-5,5-dione)
InChI key:GSMZEFQGEJPDES-WXXKFALUSA-N

分子式:C56H58F2N8O14S2
分子量:1169.24
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)\C=C\C(O)=O.Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3-c1ccc(CN2CCOCC2)cc1)C(=O)N1CCOCC1.Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3-c1ccc(CN2CCOCC2)cc1)C(=O)N1CCOCC1
SMILES:OC(=O)\C=C\C(O)=O.Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3-c1ccc(CN2CCOCC2)cc1)C(=O)N1CCOCC1.Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3-c1ccc(CN2CCOCC2)cc1)C(=O)N1CCOCC1

MSC2360844 hemifumarate is a highly potent and orally active compound that acts as a selective inhibitor of PI3Kδ, with an IC50 value of 145 nM. This compound exhibits exceptional selectivity against a comprehensive panel of 278 additional kinases.

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