Name: CDK9-IN-9
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671722
Cas No:2246956-84-1
常用名:CDK9-IN-9
IUPAC:({3,20-difluoro-13-oxa-5,7,18,25-tetraazatetracyclo[17.3.1.1^{2,6}.1^{8,12}]pentacosa-1(22),2(25),3,5,8,10,12(24),19(23),20-nonaen-10-yl}methyl)(imino)methyl-lambda6-sulfanone
IUPAC:({3,20-difluoro-13-oxa-5,7,18,25-tetraazatetracyclo[17.3.1.1^{2,6}.1^{8,12}]pentacosa-1(22),2(25),3,5,8,10,12(24),19(23),20-nonaen-10-yl}methyl)(imino)methyl-lambda6-sulfanone
InChI key:PNHBMABVSBQFDU-UHFFFAOYSA-N

分子式:C22H23F2N5O2S
分子量:459.52
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:2.8229375
SMILES:CS(=N)(=O)Cc1cc2Nc3ncc(F)c(n3)-c3ccc(F)c(NCCCCOc(c1)c2)c3
SMILES:CS(=N)(=O)Cc1cc2Nc3ncc(F)c(n3)-c3ccc(F)c(NCCCCOc(c1)c2)c3

CDK9-IN-9 is a potent and selective CDK9 inhibitor (IC50: 1.8 nM) with anti-cancer activity. It inhibits CDK2 (IC50: 155 nM).

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