Name: Inobrodib
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212659704
Cas No:2222941-37-7
常用名:Inobrodib
别名:CCS1477, CBP-IN-1
IUPAC:(6S)-1-(3,4-difluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1r,4r)-4-methoxycyclohexyl]-1H-1,3-benzodiazol-2-yl]piperidin-2-one
IUPAC:(6S)-1-(3,4-difluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1r,4r)-4-methoxycyclohexyl]-1H-1,3-benzodiazol-2-yl]piperidin-2-one
InChI key:SKDNDJWEBPQKCS-CLHVYKLBSA-N

分子式:C30H32F2N4O3
分子量:534.608
氢键供体数 (HBD):0
氢键受体数 (HBA):4
LogP:4.9499087
SMILES:CO[C@H]1CC[C@@H](CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1 |wU:5.8,wD:24.27,2.1,(-1.28,-8.73,;.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;7.59,.24,;9,-.39,;9.32,-1.9,;10.03,.76,;9.26,2.09,;7.75,1.77,;6.61,2.8,;-.32,-1.3,;-1.09,-2.64,;-2.63,-2.64,;-3.4,-1.3,;-2.63,.03,;-3.4,1.36,;-1.09,.03,;-.32,1.36,;-1.09,2.7,;-.32,4.03,;1.22,4.03,;1.99,5.37,;1.99,2.7,;3.53,2.7,;1.22,1.36,)|
SMILES:CO[C@H]1CC[C@@H](CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1 |wU:5.8,wD:24.27,2.1,(-1.28,-8.73,;.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;7.59,.24,;9,-.39,;9.32,-1.9,;10.03,.76,;9.26,2.09,;7.75,1.77,;6.61,2.8,;-.32,-1.3,;-1.09,-2.64,;-2.63,-2.64,;-3.4,-1.3,;-2.63,.03,;-3.4,1.36,;-1.09,.03,;-.32,1.36,;-1.09,2.7,;-.32,4.03,;1.22,4.03,;1.99,5.37,;1.99,2.7,;3.53,2.7,;1.22,1.36,)|

Inobrodib (CBP-IN-1) 是一种口服活性的强选择性p300/CBP 抑制剂，与 p300 和 CBP 结合，Kd 值为 1.3 和 1.7 nM。它抑制前列腺癌细胞系的细胞增殖并降低雄激素受体和 C-MYC 调节的基因表达。

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