1421372-67-9 (AZD9291中间体3,Desacrylamide-Nitro-Osimertinib)

CAS号:
1421372-67-9
中文名称:
AZD9291中间体3
英文名称:
Desacrylamide-Nitro-Osimertinib
分子式:
C25H29N7O3
分子量:
475.542864561081

AZD9291中间体3(1421372-67-9)名称与标识符

名称

中文别名:
AZD9291中间体3;N-(2-二甲基氨基-乙基)-2-甲氧基-N-甲基-N-[4-(1-甲基-1H-吲哚-3-基)-嘧啶-2-基]-5-硝基-苯-1;AZD-9291中间体;N-(2-二甲基氨基-乙基)-2-甲氧基-N-甲基-N-[4-(1-甲基-1H-吲哚-3-基)-嘧啶-2-基]-5-硝基-苯-1,4-二胺;三羟基硬脂精;N1-[2-(二甲基氨基)乙基]-5-甲氧基-N1-甲基-N4-[4-(1-甲基-1H-吲哚-3-基)-2-嘧啶基]-2-硝基-1,4-苯二胺;N1-(2-(二甲基氨基)乙基)-5-甲氧基-N1-甲基-N4-(4-(1-甲基-1H-吲哚-3-基)嘧啶-2-基)-2-硝基苯-1,4-二胺;
英文别名:
1,4-BenzenediaMine, N1-[2-(diMethylaMino)ethyl]-5-Methoxy-N1-Methyl-N4-[4-(1-Methyl-1H-indol-3-yl)-2-pyriMidinyl]-2-nitro-;N1-(2-(Dimethylamino)ethyl)-5-methoxy-N1-methyl-N4-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)-2-nitrobenzene-1,4-diamine;AZD9291Intermediate3;N1-(5-methoxy-4-((4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)methyl)-2-nitrophenyl)-N1,N2,N2-trimethylethane-1,2-diamine;N-(2-dimethylamino-ethyl)-2-methoxy-n-methyl-n-[4-(1-methyl-1h-indol-3-yl)-pyrimidin-2-yl]-5-nitro-benzene-1,4-diamine;N1-[2-(dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]-2-nitrobenzene-1,4-diamine;SCH;4-N-[2-(Dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitro;4-N-[2-(Dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;CHEMBL4856996;N4-(2-Dimethylaminoethyl)-2-methoxy-N4-methyl-N1-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitro-benzene-1,4-diamine;SY237916;C25H29N7O3;AKOS027327313;PKEPAQKEINNCAB-UHFFFAOYSA-N;DTXSID401104998;AC-30104;AZD 9291 Intermediate 3;SCHEMBL14661172;CS-M2845;N1-[2-(Dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-3-indolyl)-2-pyrimidinyl]-2-nitro-1,4-benzenediamine;N1-[2-(Dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-2-nitro-1,4-benzenediamine;SB18083;1421372-67-9;MFCD28167947;DA-45006;DS-11354;N1-[2-(dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-2-nitrobenzene-1,4-diamine;N'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N1-(2-(Dimethylamino)ethyl)-5-methoxy-N1-methyl-N4-(4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl)-2-nitro-1,4-benzenediamine;

标识符

MDL:
MFCD28167947
InChIKey:
PKEPAQKEINNCAB-UHFFFAOYSA-N
Inchi:
1S/C25H29N7O3/c1-29(2)12-13-30(3)22-15-24(35-5)20(14-23(22)32(33)34)28-25-26-11-10-19(27-25)18-16-31(4)21-9-7-6-8-17(18)21/h6-11,14-16H,12-13H2,1-5H3,(H,26,27,28)
SMILES:
O(C)C1C(=CC(=C(C=1)N(C)CCN(C)C)[N+](=O)[O-])NC1=NC=CC(C2=CN(C)C3C=CC=CC=32)=N1

AZD9291中间体3(1421372-67-9)物化性质

实验特性

  • 沸点 : 695.0±65.0°C at 760 mmHg

计算特性

  • 精确分子量 : 475.23318781g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 8
  • 同位素质量 : 475.23318781g/mol
  • 重原子数量 : 35
  • 复杂度 : 693
  • 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 : 104

AZD9291中间体3(1421372-67-9)参考资料

Reaxys RN:
PubChem CID: