Name: EPZ011989 HCl(1598383-40-4 Free base)
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212689309
Cas No:1598383-41-5
常用名:EPZ011989 HCl(1598383-40-4 Free base)
常用名:EPZ011989 HCl(1598383-40-4 Free base)
别名:EPZ011989 TFA salt, EPZ-011989 TFA, EPZ011989 TFA, EPZ 011989 TFA
别名:EPZ011989 TFA salt, EPZ-011989 TFA, EPZ011989 TFA, EPZ 011989 TFA
IUPAC:N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-{ethyl[(1r,4r)-4-[(2-methoxyethyl)(methyl)amino]cyclohexyl]amino}-2-methyl-5-[3-(morpholin-4-yl)prop-1-yn-1-yl]benzamide; bis(trifluoroacetic acid)
IUPAC:N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-{ethyl[(1r,4r)-4-[(2-methoxyethyl)(methyl)amino]cyclohexyl]amino}-2-methyl-5-[3-(morpholin-4-yl)prop-1-yn-1-yl]benzamide; bis(trifluoroacetic acid)
InChI key:UALDOBKLZXPXEW-LFZHATSCSA-N

分子式:C39H53F6N5O8
分子量:833.87
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:3.283708
SMILES:OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1 |wU:17.14,wD:20.21,(14.36,2.1,;13.59,.76,;12.05,.76,;14.36,-.57,;15.13,-1.91,;13.02,-1.34,;15.69,.2,;.33,-12.08,;-.44,-13.41,;-1.98,-13.41,;.33,-14.74,;1.1,-16.08,;-1,-15.51,;1.66,-13.97,;-5.03,-1.29,;-5.03,.25,;-3.7,1.02,;-3.7,2.56,;-5.03,3.33,;-5.03,4.87,;-3.7,5.64,;-2.36,4.87,;-2.36,3.33,;-3.7,7.18,;-2.36,7.95,;-5.03,7.95,;-5.03,9.49,;-6.37,10.26,;-6.37,11.8,;-2.36,.24,;-1.03,1.01,;.3,.24,;.3,-1.3,;-1.03,-2.07,;-1.03,-3.61,;-2.36,-4.37,;.3,-4.38,;.3,-5.92,;1.64,-6.69,;2.97,-5.92,;2.97,-4.38,;4.3,-6.69,;4.3,-8.23,;5.64,-9,;2.97,-9,;1.64,-8.23,;.3,-9,;-2.36,-1.29,;-3.7,-2.06,;1.64,1.01,;2.97,1.78,;4.3,2.55,;5.64,1.78,;6.97,2.55,;8.31,1.78,;8.31,.24,;6.97,-.53,;5.64,.24,)|
SMILES:OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1 |wU:17.14,wD:20.21,(14.36,2.1,;13.59,.76,;12.05,.76,;14.36,-.57,;15.13,-1.91,;13.02,-1.34,;15.69,.2,;.33,-12.08,;-.44,-13.41,;-1.98,-13.41,;.33,-14.74,;1.1,-16.08,;-1,-15.51,;1.66,-13.97,;-5.03,-1.29,;-5.03,.25,;-3.7,1.02,;-3.7,2.56,;-5.03,3.33,;-5.03,4.87,;-3.7,5.64,;-2.36,4.87,;-2.36,3.33,;-3.7,7.18,;-2.36,7.95,;-5.03,7.95,;-5.03,9.49,;-6.37,10.26,;-6.37,11.8,;-2.36,.24,;-1.03,1.01,;.3,.24,;.3,-1.3,;-1.03,-2.07,;-1.03,-3.61,;-2.36,-4.37,;.3,-4.38,;.3,-5.92,;1.64,-6.69,;2.97,-5.92,;2.97,-4.38,;4.3,-6.69,;4.3,-8.23,;5.64,-9,;2.97,-9,;1.64,-8.23,;.3,-9,;-2.36,-1.29,;-3.7,-2.06,;1.64,1.01,;2.97,1.78,;4.3,2.55,;5.64,1.78,;6.97,2.55,;8.31,1.78,;8.31,.24,;6.97,-.53,;5.64,.24,)|

EPZ011989为一高效选择性口服EZH2抑制剂，Ki值<3 nM。

市场产品/服务共显示1个结果

供应商
TargetMolSC
规格
货期
8-10周
纯度
-
¥ 9,212.00
1

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