N-(2-chloro-3-{[(5Z)-4-oxo-5-(6-quinoxalinylmethylidene)-4,5-dihydro-1,3-thiazol-2-yl]amino}phenyl)cyclopropanecarboxamide | 916052-94-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-(2-chloro-3-{[(5Z)-4-oxo-5-(6-quinoxalinylmethylidene)-4,5-dihydro-1,3-thiazol-2-yl]amino}phenyl)cyclopropanecarboxamide
• 英文别名: N-[2-chloro-3-[[(5Z)-4-oxo-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]phenyl]cyclopropanecarboxamide
• CAS: 916052-94-3
• 化学式: C₂₂H₁₆ClN₅O₂S
• 分子量: 449.92
• InChiKey: WASUOXPBCLVIIJ-WQRHYEAKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  喹喔啉-6-甲醛 在 sodium acetate 、 三乙胺 作用下， 以 乙醇 、 溶剂黄146 、 正戊酸 为溶剂， 反应 22.67h， 生成 N-(2-chloro-3-{[(5Z)-4-oxo-5-(6-quinoxalinylmethylidene)-4,5-dihydro-1,3-thiazol-2-yl]amino}phenyl)cyclopropanecarboxamide
  参考文献：
  名称：

  WO2006/127458

  摘要：

  公开号：

文献信息

• NOVEL CHEMICAL COMPOUNDS
  申请人：Duffy Kevin

  公开号：US20090203692A1

  公开（公告）日：2009-08-13

  This invention relates to newly identified compounds for inhibiting hYAK3 proteins and methods for treating diseases associated with hYAK3 activity.

  本发明涉及新鉴定的化合物，用于抑制hYAK3蛋白质，并用于治疗与hYAK3活性相关的疾病的方法。
• METHODS OF TREATMENT
  申请人：Duffy Kevin J.

  公开号：US20100184774A1

  公开（公告）日：2010-07-22

  This invention relates to a method of treating a disease state selected from: Alzheimer's disease, Down's syndrome, mental retardation, memory defects, memory loss, pancreatic cancer, bone resorption disease, osteoporosis, sickle cell anemia, chronic kidney disease, diabetes, depression, and subsets of depression including: alcoholism, anxiety, obsessive compulsive disorder, panic disorder, chronic pain, obesity, senile dementia, migraine, bulimia, anorexia, social phobia, pre-menstrual syndrome (PMS), adolescent depression, trichotillomania, dysthymia and substance abuse, in a mammal in need thereof, including a human, which comprises administering to such mammal a therapeutically effective amount of a selected substituted thiazol compound. The invention also relates to a method of enhancing cognition in a mammal in need thereof which comprises administering to such mammal a therapeutically effective amount of a selected substituted thiazol compound.
• [EN] NOVEL CHEMICAL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES CHIMIQUES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2006127458A2

  公开（公告）日：2006-11-30

  [EN] This invention relates to newly identified compounds for inhibiting hYAK3 proteins and methods for treating diseases associated with hYAK3 activity.
  [FR] La présente invention concerne des composés récemment identifiés qui permettent d'inhiber les protéines hYAK3, ainsi que des méthodes de traitement de maladies associées à l'activité hYAK3.