1628925-77-8 (GSK3368715 dihydrochloride,GSK3368715 dihydrochloride)

CAS号:
1628925-77-8
中文名称:
GSK3368715 dihydrochloride
英文名称:
GSK3368715 dihydrochloride
分子式:
C20H40Cl2N4O2
分子量:
439.4632
简介:
GSK3368715 dihydrochloride (EPZ019997 dihydrochloride) 是具有口服活性的,可逆的,SAM 非竞争性 I 型蛋白精氨酸甲基转移酶 (PRMTs) 抑制剂 (IC50=3.1 nM (PRMT1), 48 nM (PRMT3), 1148 nM (PRMT4), 5.7 nM (PRMT6), 1.7 nM (PRMT8))。GSK3368715 dihydrochloride (EPZ019997 dihydrochloride) 导致精氨酸甲基化状态的转变,改变了外显子的使用,具有很强的抗癌活性。

GSK3368715 dihydrochloride(1628925-77-8)名称与标识符

名称

英文别名:
GSK3368715 (dihydrochloride);EPZ019997;EPZ019997 dihydrochloride;GSK3368715 dihydrochloride;N-[3-(4,4-Bis-ethoxymethyl-cyclohexyl)-1H-pyrazol-4-ylmethyl]-N,N'-dimethyl-ethane-1,2-diamine dihydrochloride;N'-[[5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;dihydrochloride;AT11204;GSK3368715 2HCL;AKOS040733329;CS-0100240;1628925-77-8;Z4024521950;EX-A4367A;HY-128717A;N1-((3-(4,4-bis(ethoxymethyl)cyclohexyl)-1H-pyrazol-4-yl)methyl)-N1,N2-dimethylethane-1,2-diamine dihydrochloride;N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethyl-ethane-1,2-diamine;dihydrochloride;{2-[({3-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)(methyl)amino]ethyl}(methyl)amine dihydrochloride;MS-27883;EPZ019997 2HCl;EPZ019997 (dihydrochloride);EPZ019997?;DA-73163;

标识符

MDL:
MFCD32197254
InChIKey:
HPSRPMOJFMXEKS-UHFFFAOYSA-N
Inchi:
1S/C20H38N4O2.2ClH/c1-5-25-15-20(16-26-6-2)9-7-17(8-10-20)19-18(13-22-23-19)14-24(4)12-11-21-3;;/h13,17,21H,5-12,14-16H2,1-4H3,(H,22,23);2*1H
SMILES:
Cl[H].Cl[H].O(C([H])([H])C([H])([H])[H])C([H])([H])C1(C([H])([H])OC([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])(C2=C(C([H])=NN2[H])C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])N([H])C([H])([H])[H])C([H])([H])C1([H])[H]

GSK3368715 dihydrochloride(1628925-77-8)物化性质

计算特性

  • 精确分子量 : 438.2528319g/mol
  • 氢键供体数量 : 4
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 12
  • 同位素质量 : 438.2528319g/mol
  • 重原子数量 : 28
  • 复杂度 : 365
  • 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 : 3
  • 拓扑分子极性表面积 : 62.4

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