methyl 4-[(E)-(2-bicyclo[2.2.1]hept-5-enylcarbamothioylhydrazinylidene)methyl]-1-methylpyrrole-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: methyl 4-[(E)-(2-bicyclo[2.2.1]hept-5-enylcarbamothioylhydrazinylidene)methyl]-1-methylpyrrole-2-carboxylate
• 化学式: C₁₆H₂₀N₄O₂S
• 分子量: 332.4
• InChiKey: ODOIFLMMVCMXRY-CAOOACKPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  99.7
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• 4-substituted-1- (arylmethylidene) thiosemicarbazide, 4-substituted-1- (arylcarbonyl) thiosemicarbazide and analogs as activators of caspases and inducers of apoptosis and the use thereof
  申请人：——

  公开号：US20030045581A1

  公开（公告）日：2003-03-06

  The present invention is directed to optionally substituted 4-substituted-1-(arylmethylidene)thiosemicarbazide, 4-substituted-1-(arylcarbonyl)thiosemicarbazide and analogs thereof, represented by the Formulae I and II: 1 wherein A 1 , A 2 , Q and R 1 -R 3 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.

  本发明涉及可选取代的4-取代-1-(芳基甲基亚胺基)硫脲、4-取代-1-(芳基羰基)硫脲及其类似物，由式I和II表示：其中A1，A2，Q和R1-R3在此定义。本发明还涉及发现具有式I和II的化合物是caspase激活剂和凋亡诱导剂的发现。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无控制生长和扩散的各种临床情况中的细胞死亡。
• EP1399159A4
  申请人：——

  公开号：EP1399159A4

  公开（公告）日：2007-02-14
• 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF
  申请人：Cytovia, Inc.

  公开号：EP1399159A1

  公开（公告）日：2004-03-24
• US6794400B2
  申请人：——

  公开号：US6794400B2

  公开（公告）日：2004-09-21
• [EN] 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF<br/>[FR] 4-SUBSTITUTE-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUE-1-(ARYLCARBONYL)THIOSEMICARBAZIDE ET ANALOGUES EN TANT QU'ACTIVATEURS DE CAPSASES ET DECLENCHEURS D'APOPTOSE, ET LEUR UTILISATION
  申请人：CYTOVIA INC

  公开号：WO2002098420A1

  公开（公告）日：2002-12-12

  The present invention is directed to optionally substituted 4-substituted-1-(arylmethylidene)thiosemicarbazide, 4-substituted-1-(arylcarbonyl)thiosemicarbazide and analogs thereof, represented by the Formulae (I) and (II), wherein A1, A2, Q and R1-R3 are defined herein. The present invention also relates to the discovery that compounds having Formulae (I) and (II) are activators o f 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.