4-amino-5-(1-methyl-4-nitro-1H-pyrrol-2-yl)-4H-[1,2,4]-triazole-3-thiol | 1003849-22-6

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 4-amino-5-(1-methyl-4-nitro-1H-pyrrol-2-yl)-4H-[1,2,4]-triazole-3-thiol
• 英文别名: 4-amino-3-(1-methyl-4-nitropyrrol-2-yl)-1H-1,2,4-triazole-5-thione
• CAS: 1003849-22-6
• 化学式: C₇H₈N₆O₂S
• 分子量: 240.246
• InChiKey: DYALMDDYBQKYLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  137
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF<br/>[FR] 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADAZINES ET ANALOGUES EN TANT QU'ACTIVATEURS DE CASPASES ET INDUCTEURS D'APOPTOSE, ET LEUR UTILISATION
  申请人：CYTOVIA INC

  公开号：WO2009094205A2

  公开（公告）日：2009-07-30

  Disclosed are 3-aryl-6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and analogs thereof, represented by the Formula I wherein Ar1, Ar2, R1, R2, and X are defined herein. The present invention relates to the discovery that compounds having Formula I 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.