4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethyl-N-{3-[4-(5-bromopyridin-3-yl)pyrimidin-2-ylamino]-4-methylphenyl}benzamide hydrochloride | 641615-25-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethyl-N-{3-[4-(5-bromopyridin-3-yl)pyrimidin-2-ylamino]-4-methylphenyl}benzamide hydrochloride
• 英文别名: N-[3-[[4-(5-bromopyridin-3-yl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide;hydrochloride
• CAS: 641615-25-0
• 化学式: C₃₀H₂₉BrF₃N₇O*ClH
• 分子量: 676.967
• InChiKey: PYEQOLRKWGNBHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.79
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  86.3
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethyl-N-{3-[4-(5-bromopyridin-3-yl)pyrimidin-2-ylamino]-4-methylphenyl}benzamide 生成 4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethyl-N-{3-[4-(5-bromopyridin-3-yl)pyrimidin-2-ylamino]-4-methylphenyl}benzamide hydrochloride
  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：EP1702917A1

  公开（公告）日：2006-09-20

  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]: (wherein R1 represents -CH2-R11, etc.; R2 represents alkyl, halogen, haloalkyl, etc.; R3 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.

  本发明涉及一种具有优异BCR-ABL酪氨酸激酶抑制活性的酰胺衍生物或其盐。 本发明提供了一种由以下通式[1]表示的酰胺衍生物： (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代表上述式[6]的基团等；Het2代表嘧啶基等）的酰胺衍生物，或其药学上可接受的盐，以及包含其作为活性成分的药物组合物。 本发明的化合物可用作 BCR-ABL 酪氨酸激酶抑制剂。
• 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