Name: Oclacitinib
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212000383
Cas No:1208319-26-9
常用名:Oclacitinib
别名:PF-03394197
IUPAC:N-methyl-1-[(1r,4r)-4-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]cyclohexyl]methanesulfonamide
IUPAC:N-methyl-1-[(1r,4r)-4-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]cyclohexyl]methanesulfonamide
InChI key:HJWLJNBZVZDLAQ-HAQNSBGRSA-N

分子式:C15H23N5O2S
分子量:337.44
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:1.3052185
SMILES:CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |wU:9.12,wD:6.5,(-7.54,2.16,;-6.21,1.39,;-4.87,2.16,;-4.1,.82,;-5.64,3.49,;-3.54,2.93,;-2.21,2.16,;-2.21,.62,;-.87,-.15,;.46,.62,;.46,2.16,;-.87,2.93,;1.79,-.15,;3.13,.62,;1.79,-1.69,;3.13,-2.46,;3.13,-4,;1.79,-4.77,;.46,-4,;-1,-4.48,;-1.91,-3.23,;-1,-1.99,;.46,-2.46,)|
SMILES:CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |wU:9.12,wD:6.5,(-7.54,2.16,;-6.21,1.39,;-4.87,2.16,;-4.1,.82,;-5.64,3.49,;-3.54,2.93,;-2.21,2.16,;-2.21,.62,;-.87,-.15,;.46,.62,;.46,2.16,;-.87,2.93,;1.79,-.15,;3.13,.62,;1.79,-1.69,;3.13,-2.46,;3.13,-4,;1.79,-4.77,;.46,-4,;-1,-4.48,;-1.91,-3.23,;-1,-1.99,;.46,-2.46,)|

Oclacitinib (PF-03394197) 是一种有效的选择性 JAKs 抑制剂，IC50 为 10-99 nM；不抑制一组 38 种非 JAK 激酶 (IC50 > 1000 nM)。

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