1346572-63-1 (GSK503,GSK503)

结构式:
CAS号:
1346572-63-1
中文名称:
GSK503
英文名称:
GSK503
分子式:
C31H38N6O2
分子量:
526.6724
简介:
GSK503是高效特异性的EZH2甲基转移酶抑制剂,Kiapp值为3到27 nM。

GSK503(1346572-63-1)名称与标识符

名称

中文别名:
GSK503 抑制剂;N-[(4,6-二甲基-2-氧代-1,2-二氢-3-吡啶基)甲基]-3-甲基-1-(异丙基)-6-[6-(4-甲基-1-哌嗪基)-3-吡啶基]-1H-吲哚-4-甲酰胺;
英文别名:
GSK503;GSK-503;N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-3-methyl-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-propan-2-ylindole-4-carboxamide;BCP15520;GSK2635503C;3708AH;s7804;SB19708;AK242035;B5833;AKOS026750204;HY-12856;BRD-K72293620-001-01-7;N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-3-methyl-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1 H-indole-4-carboxamide;GSK 503;J-690138;AC-30935;GSK503?;HRDQQHUKUIKFHT-UHFFFAOYSA-N;CHEBI:231340;SCHEMBL2595868;EX-A613;MFCD28405142;1346572-63-1;N-[(1,2-Dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-methyl-1-(1-methylethyl)-6-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1H-indole-4-carboxamide;N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-(propan-2-yl)-1H-indole-4-carboxamide;GSK-503?EZH2 inhibitor;DA-45878;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-isopropyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]indole-4-carboxamide;AS-77300;CCG-269894;CHEMBL3909511;

标识符

MDL:
MFCD28405142
InChIKey:
HRDQQHUKUIKFHT-UHFFFAOYSA-N
Inchi:
1S/C31H38N6O2/c1-19(2)37-18-21(4)29-25(30(38)33-17-26-20(3)13-22(5)34-31(26)39)14-24(15-27(29)37)23-7-8-28(32-16-23)36-11-9-35(6)10-12-36/h7-8,13-16,18-19H,9-12,17H2,1-6H3,(H,33,38)(H,34,39)
SMILES:
O=C(C1C([H])=C(C2=C([H])N=C(C([H])=C2[H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])=C2C=1C(C([H])([H])[H])=C([H])N2C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C([H])([H])C1C(N([H])C(C([H])([H])[H])=C([H])C=1C([H])([H])[H])=O

GSK503(1346572-63-1)物化性质

实验特性

  • 沸点 : 798.6±60.0°C at 760 mmHg
  • 溶解度 : 微溶 (1.3 g/L) (25 ºC),
  • 密度 : 1.24±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 526.305624g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 6
  • 同位素质量 : 526.305624g/mol
  • 重原子数量 : 39
  • 复杂度 : 984
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.8
  • 拓扑分子极性表面积 : 82.5
  • 分子量 : 526.7g/mol