4-(Bicyclo[2.2.1]hept-5-en-2-yl)-1-(2-methylthiazole-5-carbonyl)thiosemicarbazide | 478038-17-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(Bicyclo[2.2.1]hept-5-en-2-yl)-1-(2-methylthiazole-5-carbonyl)thiosemicarbazide
• 英文别名: 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methyl-1,3-thiazole-5-carbonyl)amino]thiourea
• CAS: 478038-17-4
• 化学式: C₁₃H₁₆N₄OS₂
• 分子量: 308.428
• InChiKey: STDNYXWLRUXAHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  126
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-甲基-1,3-噻唑-5-甲酰肼 、 5-异硫氰酸双环并[2.2.1]庚烯 以9%的产率得到4-(Bicyclo[2.2.1]hept-5-en-2-yl)-1-(2-methylthiazole-5-carbonyl)thiosemicarbazide
  参考文献：
  名称：

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

  摘要：

  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。

  公开号：

  US20030045581A1

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：Cytovia, Inc.

  公开号：US06794400B2

  公开（公告）日：2004-09-21

  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 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-(芳基甲基亚硫基)脲、4-取代-1-(芳基羰基)亚硫基脲及其类似物，其化学式分别为I和II：其中A1、A2、Q和R1-R3在此定义。本发明还涉及发现具有化学式I和II的化合物是caspase的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在各种临床情况下诱导细胞死亡，其中出现了异常细胞的不受控制的生长和扩散。
• 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.