404844-11-7 (4-氯甲基-N-[4-甲基-3-[[4-(吡啶-3-基)嘧啶-2-基]氨基]苯基]苯甲酰胺,N-4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl-4-chloromethyl Benzamide)

CAS号:
404844-11-7
中文名称:
4-氯甲基-N-[4-甲基-3-[[4-(吡啶-3-基)嘧啶-2-基]氨基]苯基]苯甲酰胺
英文名称:
N-4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl-4-chloromethyl Benzamide
分子式:
C24H20ClN5O
分子量:
429.901503562927
API:

4-氯甲基-N-[4-甲基-3-[[4-(吡啶-3-基)嘧啶-2-基]氨基]苯基]苯甲酰胺(404844-11-7)名称与标识符

名称

中文别名:
4-氯甲基-N-[4-甲基-3-[[4-(吡啶-3-基)嘧啶-2-基]氨基]苯基]苯甲酰胺;4-氯甲基-N-[4-甲基-3-[[4-(吡啶-3-基)嘧啶-2-基]氨基]苯基]苯;甲磺酸伊马替尼中间体;伊马替尼中间体;伊马替尼中间体(N- [4-甲基-3-(4-吡啶-3-基-嘧啶-2-基氨基)-苯基] -4-氯苯甲酰胺);伊马替尼中间体3;4-(氯甲基)-N-(4-甲基-3-((4-(吡啶-3-基)嘧啶-2-基)氨基)苯基)苯甲酰胺;
英文别名:
4-(Chloromethyl)-N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)benzamide;N-[5-[[4-(Chloromethyl)benzoyl]amino]-2-methylphenyl]-4-(3-pyridyl)-2-pyrimidineamine;N-[4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-4-chloromethyl Benzamide;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide;A825129;4-(chloromethyl)-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-(Chloromethyl)-N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)benzamide;SCHEMBL723757;4-chloromethyl-N-[4-methyl-3-(4-pyridine-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide;N-[5-(4-chloromethylbenzoylamino)-2-methylphenyl]-4-(3-pyridyl)-2-pyrimidine-amine;4-(chloromethyl)-N-{4-methyl-3-[4-(pyridin-3-yl)pyrimidin-2-ylamino]phenyl}benzamide;4-chloromethyl-N-{4-methyl-3-[(4-pyridin-3-yl)-pyrimidin-2-ylamino]-phenyl}-benzamide;n-(5-(4-chloromethylbenzoylamino)-2-methylphenyl)-4-(3-pyridyl)-2-pyrimdine-amine;AKOS015896091;4-chloromethyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrmidin-2-ylamino)-phenyl]-benzamide;DS-6634;WUGWDFMSJPJUEZ-UHFFFAOYSA-N;PD119309;Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]Amino]phenyl]benzamide Intermediate of Imatinib Mesylate;FT-0659510;404844-11-7;4-chloromethyl-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)benzamide;BDBM50341234;4-(CHLOROMETHYL)-N-(4-METHYL-3-{[4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENYL)BENZAMIDE;4-(Chloromethyl)-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide;CHEMBL1765715;4-chloromethyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide;Benzamide, 4-(chloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-;AC-5912;MFCD09841001;4-(chloromethyl)-n-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)benzamide;N-(5-(4-chloromethylbenzoylamino)-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidine-amine;4-(Chloromethyl)-N-(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamide;DTXSID30436494;CS-0205716;VCC748774;4-chloromethyl-N-(4-methyl-3-((4-pyridin-3-yl)-pyrimidin-2-ylamino)-phenyl)-benzamide;AT23819;AM20090631;2-Methyl-5-[[4-(chloromethyl)benzoyl]amino]-N-[4-(pyridin-3-yl)pyrimidin-2-yl]benzenamine;A kinase inhibitor 2;HY-W143698;493YC8TX2Q;DB-070016;PDGFR;4-(chloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide;

标识符

MDL:
MFCD09841001
InChIKey:
WUGWDFMSJPJUEZ-UHFFFAOYSA-N
Inchi:
1S/C24H20ClN5O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14H2,1H3,(H,28,31)(H,27,29,30)
SMILES:
ClCC1C=CC(=CC=1)C(NC1C=CC(C)=C(C=1)NC1N=CC=C(C2C=NC=CC=2)N=1)=O

4-氯甲基-N-[4-甲基-3-[[4-(吡啶-3-基)嘧啶-2-基]氨基]苯基]苯甲酰胺(404844-11-7)物化性质

实验特性

  • LogP : 5.72770
  • PSA : 79.80000
  • 折射率 : 1.691
  • 熔点 : 300°C (dec)
  • 颜色与性状 : 灰白色固体
  • 密度 : 1.329

计算特性

  • 精确分子量 : 429.13600
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 7
  • 同位素质量 : 429.1356380g/mol
  • 重原子数量 : 31
  • 复杂度 : 570
  • 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) : 4.3
  • 拓扑分子极性表面积 : 79.8Ų

4-氯甲基-N-[4-甲基-3-[[4-(吡啶-3-基)嘧啶-2-基]氨基]苯基]苯甲酰胺(404844-11-7)安全信息

4-氯甲基-N-[4-甲基-3-[[4-(吡啶-3-基)嘧啶-2-基]氨基]苯基]苯甲酰胺(404844-11-7)国际标准相关数据

EINECS:

4-氯甲基-N-[4-甲基-3-[[4-(吡啶-3-基)嘧啶-2-基]氨基]苯基]苯甲酰胺(404844-11-7)推荐厂家 更多厂家(27)

4-氯甲基-N-[4-甲基-3-[[4-(吡啶-3-基)嘧啶-2-基]氨基]苯基]苯甲酰胺(404844-11-7)参考资料

Reaxys RN:
PubChem CID: