Name: Bcl-2-IN-2
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323406
Cas No:2383085-86-5
常用名:Bcl-2-IN-2
IUPAC:4-{2-[(2S)-2-(2-ethylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl}-N-[3-nitro-4-({[(1r,4r)-4-hydroxy-4-methylcyclohexyl]methyl}amino)benzenesulfonyl]-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
IUPAC:4-{2-[(2S)-2-(2-ethylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl}-N-[3-nitro-4-({[(1r,4r)-4-hydroxy-4-methylcyclohexyl]methyl}amino)benzenesulfonyl]-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
InChI key:DTVOZSGYTQLYFR-LKSLBPMVSA-N

分子式:C48H57N7O7S
分子量:876.09
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCc1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)N(=O)=O)c(Oc2cnc3[nH]ccc3c2)c1 |wU:8.8,41.46,wD:38.41,41.45,(10.07,9.11,;9.75,10.61,;10.9,11.64,;12.36,11.17,;13.5,12.2,;13.18,13.7,;11.72,14.18,;10.58,13.15,;9.11,13.63,;8.64,15.09,;7.1,15.09,;6.62,13.63,;7.87,12.72,;7.87,11.18,;8.95,10.09,;7.87,9,;6.78,10.09,;9.2,8.23,;9.2,6.69,;7.87,5.92,;6.53,6.69,;6.53,8.23,;7.87,4.38,;9.2,3.61,;9.2,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;9.2,-1.01,;10.53,-.24,;9.76,1.1,;11.3,-1.57,;11.87,.53,;13.2,-.24,;14.53,.53,;14.53,2.07,;15.87,2.84,;15.87,4.38,;17.2,5.15,;18.53,4.38,;19.87,5.15,;19.87,6.69,;20.4,8.14,;21.38,6.43,;18.53,7.46,;17.2,6.69,;13.2,2.84,;11.87,2.07,;13.2,4.38,;14.53,5.15,;11.87,5.15,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;6.53,3.61,)|
SMILES:CCc1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)N(=O)=O)c(Oc2cnc3[nH]ccc3c2)c1 |wU:8.8,41.46,wD:38.41,41.45,(10.07,9.11,;9.75,10.61,;10.9,11.64,;12.36,11.17,;13.5,12.2,;13.18,13.7,;11.72,14.18,;10.58,13.15,;9.11,13.63,;8.64,15.09,;7.1,15.09,;6.62,13.63,;7.87,12.72,;7.87,11.18,;8.95,10.09,;7.87,9,;6.78,10.09,;9.2,8.23,;9.2,6.69,;7.87,5.92,;6.53,6.69,;6.53,8.23,;7.87,4.38,;9.2,3.61,;9.2,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;9.2,-1.01,;10.53,-.24,;9.76,1.1,;11.3,-1.57,;11.87,.53,;13.2,-.24,;14.53,.53,;14.53,2.07,;15.87,2.84,;15.87,4.38,;17.2,5.15,;18.53,4.38,;19.87,5.15,;19.87,6.69,;20.4,8.14,;21.38,6.43,;18.53,7.46,;17.2,6.69,;13.2,2.84,;11.87,2.07,;13.2,4.38,;14.53,5.15,;11.87,5.15,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;6.53,3.61,)|

Bcl-2-IN-2 is a highly potent and selective inhibitor targeting Bcl-2 and Bcl-xL. It displays an IC50 value of 0.034 nM, suggesting its strong inhibitory activity specifically against Bcl-2. Additionally, Bcl-2-IN-2 exhibits an IC50 value of 43 nM against Bcl-xL, demonstrating over 1000-fold selectivity for Bcl-2 compared to Bcl-xL.

市场产品/服务共显示1个结果

供应商
TargetMolSC
规格
货期
6-8周
纯度
-
¥ 10,600.00
1

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