6-氯-N-(嘧啶-5-基)-3-(4-(三氟甲基)苯基氨基)苯并[d]异恶唑-7-甲酰胺 | 1002106-19-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 6-氯-N-(嘧啶-5-基)-3-(4-(三氟甲基)苯基氨基)苯并[d]异恶唑-7-甲酰胺
• 英文名称: 6-chloro-N-(pyrimidin-5-yl)-3-(4-(trifluoromethyl)phenylamino)benzo[d]isoxazole-7-carboxamide
• 英文别名: 6-chloro-N-pyrimidin-5-yl-3-[4-(trifluoromethyl)anilino]-1,2-benzoxazole-7-carboxamide
• CAS: 1002106-19-5
• 化学式: C₁₉H₁₁ClF₃N₅O₂
• 分子量: 433.777
• InChiKey: DJYCTTVILKPUFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  92.9
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  5-氨基嘧啶 、 6-chloro-3-((4-(trifluoromethyl)phenyl)amino)benzo[d]isoxazole-7-carboxylic acid 在 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 6-氯-N-(嘧啶-5-基)-3-(4-(三氟甲基)苯基氨基)苯并[d]异恶唑-7-甲酰胺
  参考文献：
  名称：

  Discovery of amido-benzisoxazoles as potent c-Kit inhibitors

  摘要：

  Deregulation of the receptor tyrosine kinase c-Kit is associated with an increasing number of human diseases, including certain cancers and mast cell diseases. Interference of c-Kit signaling with multi-kinase inhibitors has been shown clinically to successfully treat gastrointestinal stromal tumors and mastocytosis. Targeted therapy of c-Kit activity may provide therapeutic advantages against off-target effects for non-oncology applications. A new structural class of c-Kit inhibitors is described, including in vitro c-Kit potency, kinase selectivity, and the observed binding mode.

  DOI：

  10.1016/j.bmcl.2008.07.111

文献信息

• Heterocyclic compounds and methods of use
  申请人：Chen Ning

  公开号：US20080227779A1

  公开（公告）日：2008-09-18

  The present invention comprises a new class of compounds capable of modulating the c-kit protein kinase and, accordingly, useful for treatment of c-kit mediated diseases including, without limitation, autoimmune disease, allergies, mastcytosis, mast cell related tumors and various fibrotic diseases. The compounds have a general Formula I wherein R 1-5 , X, Y and Z are defined herein. The invention further comprises pharmaceutical compositions, methods for treatment of c-kit mediated diseases, and intermediates and processes useful for the preparation of compounds of the invention.

  本发明包括一类新的化合物，能够调节c-kit蛋白激酶，并因此用于治疗c-kit介导的疾病，包括但不限于自身免疫性疾病、过敏、肥大细胞增生症、肥大细胞相关肿瘤和各种纤维化疾病。这些化合物具有一般的I式，其中R1-5，X，Y和Z在此定义。本发明还包括制药组合物，治疗c-kit介导的疾病的方法，以及制备本发明化合物的中间体和方法。
• BENZO[D]ISOXAZOLE DERIVATIVES AS C-KIT TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH THE OVER PRODUCTION OF HISTAMINE
  申请人：Amgen Inc.

  公开号：EP2069020A2

  公开（公告）日：2009-06-17
• US7872128B2
  申请人：——

  公开号：US7872128B2

  公开（公告）日：2011-01-18
• [EN] HETEROCYCLIC COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET PROCÉDÉS D'UTILISATION
  申请人：AMGEN INC

  公开号：WO2008011080A2

  公开（公告）日：2008-01-24

  [EN] The present invention comprises a new class of compounds capable of modulating the c-kit protein kinase and, accordingly, useful for treatment of c-kit mediated diseases including, without limitation, autoimmune disease, allergies, mastocytosis, mast cell related tumors and various fibrotic diseases. The compounds have a general Formula (I) wherein R^1-5, X, Y and Z are defined herein. The invention further comprises pharmaceutical compositions, methods for treatment of c-kit mediated diseases, and intermediates and processes useful for the preparation of compounds of the invention.
  [FR] La présente invention concerne une nouvelle classe de composés qui sont capables de moduler le c-kit à activité protéine kinase et qui, par conséquent, sont utilisables pour traiter des maladies induites par le c-kit, y compris, mais sans limitation, les maladies auto-immunes, les allergies, la mastocytose, les tumeurs liées aux mastocytes et diverses maladies de type fibrose. Les composés ont la formule générale (I) dans laquelle R^1-5, X, Y et Z sont définis ici. L'invention concerne en outre des compositions pharmaceutiques, des procédés de traitement des maladies induites par le c-kit, ainsi que des intermédiaires et des procédés utiles pour la préparation des composés de l'invention.
• Discovery of amido-benzisoxazoles as potent c-Kit inhibitors
  作者：Roxanne K. Kunz、Shannon Rumfelt、Ning Chen、Dawei Zhang、Andrew S. Tasker、Roland Bürli、Randall Hungate、Violeta Yu、Yen Nguyen、Douglas A. Whittington、Kristin L. Meagher、Matthew Plant、Yanyan Tudor、Michael Schrag、Yang Xu、Gordon Y. Ng、Essa Hu

  DOI：10.1016/j.bmcl.2008.07.111

  日期：2008.9

  Deregulation of the receptor tyrosine kinase c-Kit is associated with an increasing number of human diseases, including certain cancers and mast cell diseases. Interference of c-Kit signaling with multi-kinase inhibitors has been shown clinically to successfully treat gastrointestinal stromal tumors and mastocytosis. Targeted therapy of c-Kit activity may provide therapeutic advantages against off-target effects for non-oncology applications. A new structural class of c-Kit inhibitors is described, including in vitro c-Kit potency, kinase selectivity, and the observed binding mode.