4-(Pyridin-4-yl)-2-(pyridin-2-yl)pyrimidine-5-carboxylic acid (3-trifluoromethyl-benzylidene)-hydrazide | 474973-54-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(Pyridin-4-yl)-2-(pyridin-2-yl)pyrimidine-5-carboxylic acid (3-trifluoromethyl-benzylidene)-hydrazide
• 英文别名: 2-pyridin-2-yl-4-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-5-carboxamide
• CAS: 474973-54-1
• 化学式: C₂₃H₁₅F₃N₆O
• 分子量: 448.407
• InChiKey: XACUTYGQNSWUBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  93
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-Pyridin-2-yl-4-pyridin-4-ylpyrimidine-5-carbohydrazide 、 3-三氟甲基苯甲醛 生成 4-(Pyridin-4-yl)-2-(pyridin-2-yl)pyrimidine-5-carboxylic acid (3-trifluoromethyl-benzylidene)-hydrazide
  参考文献：
  名称：

  Substituted N′-(Arylcarbonyl)-benzhydrazides, N′(Arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof

  摘要：

  本发明涉及代替的N′-(芳基羰基)-苯并嗪、N′-(芳基羰基)-苄亚嗪和类似物，其由式I和式II表示：其中Ar1，Ar2和R1-R2在此定义。本发明还涉及发现具有式I和式II的化合物是caspase激活剂和凋亡诱导剂。因此，本发明的caspase激活剂和凋亡诱导剂可用于诱导在出现异常细胞的不受控制的生长和扩散的各种临床病况中的细胞死亡。

  公开号：

  US06716859B2

文献信息

• Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof
  申请人：Cytovia, Inc.

  公开号：US20030013743A1

  公开（公告）日：2003-01-16

  The present invention is directed to substituted N′-(arylcarbonyl)-benzhydrazides, N′-(arylcarbonyl)-benzylidene-hydrazides and analogs thereof, represented by the Formulae I and II: 1 wherein Ar 1 , Ar 2 , and R 1 -R 2 are defined herein. The present invention also relates to the discovery that compounds having Formulae I and II are activators of caspases and inducers of apoptosis. Therefore, the activators of caspases and inducers of apoptosis of this invention may be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明涉及被替换的N'-(芳基羰基)-苯基腙、N'-(芳基羰基)-苯甲醛肼及其类似物，其化学式如下：式中Ar1、Ar2、R1-R2的定义如本文所述。本发明还涉及发现化合物I和II是caspases的激活剂和凋亡的诱导剂。因此，本发明的caspases激活剂和凋亡诱导剂可用于在出现异常细胞的不受控制的生长和扩散的各种临床情况下诱导细胞死亡。
• Substituted N′-(arylcarbonyl)-benzhydrazides, N′-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof
  申请人：Cytovia, Inc.

  公开号：US07074813B2

  公开（公告）日：2006-07-11

  The present invention is directed to substituted N′-(arylcarbonyl)-benzhydrazides, N′-(arylcarbonyl)-benzylidene-hydrazides and analogs thereof, represented by the Formulae I and II: wherein Ar1, Ar2, and R1–R2 are defined herein. The present invention also relates to the discovery that compounds having Formulae I and II are activators of caspases and inducers of apoptosis. Therefore, the activators of caspases and inducers of apoptosis of this invention may be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明涉及被取代的N'-（芳基羰基）-苯基肼，N'-（芳基羰基）-苯甲亚肼及其类似物，其化学式为I和II：其中Ar1，Ar2和R1-R2在此定义。本发明还涉及发现具有I和II式的化合物是caspase激活剂和诱导凋亡剂。因此，本发明的caspase激活剂和诱导凋亡剂可用于在各种临床情况下诱导细胞死亡，其中发生异常细胞的不受控制的生长和扩散。