3,5-dimethoxy-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(3-pyridyl)pyrimidin-2-ylamino]phenyl}benzamide | 641615-07-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3,5-dimethoxy-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(3-pyridyl)pyrimidin-2-ylamino]phenyl}benzamide
• 英文别名: 3,5-dimethoxy-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(pyridin-3-yl)pyrimidin-2-ylamino]phenyl}benzamide；3,5-dimethoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
• CAS: 641615-07-8
• 化学式: C₃₁H₃₅N₇O₃
• 分子量: 553.664
• InChiKey: SASYAPJNUKMVDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  41
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3,5-dimethoxy-4-(4-methylpiperazin-1-ylmethyl)benzoyl chloride dihydrochloride 、 N-(5-氨基-2-甲基苯基)-4-(3-吡啶基)-2-氨基嘧啶 生成 3,5-dimethoxy-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(3-pyridyl)pyrimidin-2-ylamino]phenyl}benzamide
  参考文献：
  名称：

  AMIDE DERIVATIVE

  摘要：

  公开号：

  EP1533304B1

文献信息

• Amide Derivative and Medicine
  申请人：Asaki Tetsuo

  公开号：US20080293940A1

  公开（公告）日：2008-11-27

  The present invention is directed to an amide derivative having excellent BCR-ABL tyrosine kinase inhibitory activity, or a salt thereof. The present invention provides an amide derivative represented by the following general formula (1): [Chemical 23] (wherein R 1 represents —CH 2 —R 11 , etc.; R 2 represents alkyl, halogen, haloalkyl, etc.; R 3 represents hydrogen, etc.; Het1 represents a group of the formula [6] as above, etc.; and Het2 represents pyrimidinyl, etc.), or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition comprising the same as an active ingredient. The compound of the present invention is useful as a BCR-ABL tyrosine kinase inhibitor.

  本发明涉及具有优异的BCR-ABL酪氨酸激酶抑制活性的酰胺衍生物或其盐。本发明提供了由下述通式（1）表示的酰胺衍生物：[化学式23]（其中，R1代表—CH2—R11等；R2代表烷基、卤素、卤代烷基等；R3代表氢等；Het1代表如上所述的[6]式基团等；Het2代表嘧啶基等），或其药学上可接受的盐，并且提供了包含其作为活性成分的制药组合物。本发明的化合物在作为BCR-ABL酪氨酸激酶抑制剂方面是有用的。
• AMIDE DERIVATIVE AND MEDICINE
  申请人：Nippon Shinyaku Co., Ltd.

  公开号：EP1702917B1

  公开（公告）日：2017-08-02
• Amide derivative
  申请人：Asaki Tetsuo

  公开号：US20060014742A1

  公开（公告）日：2006-01-19

  The present invention provides an amide derivative represented by the following general formula (1): wherein R 1 represents a saturated cyclic amino group, R 2 represents alkyl, halogen or haloalkyl, R 3 represents hydrogen or halogen, Het 2 represents pyridyl or pyrimidinyl, and Het 1 represents a group of the formula [6], or a salt thereof, and a pharmaceutical composition comprising the same as an active ingredient. The compound of the present invention is useful as a BCR-ABL tyrosine kinase inhibitor.
• US7494997B2
  申请人：——

  公开号：US7494997B2

  公开（公告）日：2009-02-24
• US7728131B2
  申请人：——

  公开号：US7728131B2

  公开（公告）日：2010-06-01