1-[4-chloro-2-(2-chloro-benzoyl)-phenyl]-5-chloromethyl-1H-[1,2,4]triazole-3-carboxylic acid | 36753-57-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[4-chloro-2-(2-chloro-benzoyl)-phenyl]-5-chloromethyl-1H-[1,2,4]triazole-3-carboxylic acid
• 英文别名: 1-[2-(o-chlorobenzoyl)-4-chlorophenyl]-5-(chloromethyl)-1H-1,2,4-triazole-3-carboxylic acid；1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxylic acid
• CAS: 36753-57-8
• 化学式: C₁₇H₁₀Cl₃N₃O₃
• 分子量: 410.644
• InChiKey: CXSQNRLNVWMBIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  85.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-[4-chloro-2-(2-chloro-benzoyl)-phenyl]-5-chloromethyl-1H-[1,2,4]triazole-3-carboxylic acid 生成 1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxamide
  参考文献：
  名称：

  KUVADA, YUTAKA;TAVADA, XIROYUKI;MOGURO, KANSI

  摘要：

  DOI：
• 作为产物：
  描述：

  1-[4-chloro-2-(2-chloro-benzoyl)-phenyl]-5-chloromethyl-1H-[1,2,4]triazole-3-carboxylic acid ethyl ester 生成 1-[4-chloro-2-(2-chloro-benzoyl)-phenyl]-5-chloromethyl-1H-[1,2,4]triazole-3-carboxylic acid
  参考文献：
  名称：

  KUVADA, YUTAKA;TAVADA, XIROYUKI;MOGURO, KANSI

  摘要：

  DOI：

文献信息

• Diazepine derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04027029A1

  公开（公告）日：1977-05-31

  Compounds of the class of 6-phenyl-4H-s-triazolo[1,5-a][1,4]benzodiazepine-2-carboxamides, their 5-oxides and their pharmaceutically acceptable acid addition salts have valuable pharmacological properties and are active ingredients for therapeutic compositions. In particular, these new compounds have an anti-convulsive and anti-aggressive action and inhibit somatic reflexes. Specific embodiments are N,N-dimethyl-6-phenyl-8-chloro-4H-s-triazolo[1,5-a][1,4]benzodiazepine-2-c arboxamide, 6-(o-fluorophenyl)-8-chloro-4H-s-triazolo[1,5-a][1,4]benzodiazepine-2-carb oxamide, N,N-dimethyl-6-(o-fluorophenyl)-8-chloro-4H-s-triazolo[1,5-a][1,4]benzodia zepine-2-carboxamide and N,N-dimethyl-6-(o-chlorophenyl)-8-chloro-4H-s-triazolo[1,5-a][1,4]benzodia zepine-2-carboxamide.

  6-苯基-4H-s-三唑并[1,5-a][1,4]苯二氮杂蒽啉-2-羧酰胺类化合物，它们的5-氧化物及其药用可接受的酸盐具有宝贵的药理学性质，并且是治疗组合物的活性成分。具体而言，这些新化合物具有抗惊厥和抗攻击作用，并抑制体性反射。具体实施例包括N，N-二甲基-6-苯基-8-氯-4H-s-三唑并[1,5-a][1,4]苯二氮杂蒽啉-2-羧酰胺，6-(邻氟苯基)-8-氯-4H-s-三唑并[1,5-a][1,4]苯二氮杂蒽啉-2-羧酰胺，N，N-二甲基-6-(邻氟苯基)-8-氯-4H-s-三唑并[1,5-a][1,4]苯二氮杂蒽啉-2-羧酰胺和N，N-二甲基-6-(邻氯苯基)-8-氯-4H-s-三唑并[1,5-a][1,4]苯二氮杂蒽啉-2-羧酰胺。
• Triazole derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04209515A1

  公开（公告）日：1980-06-24

  The present invention relates to new triazole derivatives of the formula ##STR1## wherein R.sub.1 represents hydrogen, lower alkyl, optionally esterified or etherified hydroxymethyl, formyl, optionally functionally modified carboxy, or optionally mono- or disubstituted aminomethyl, R.sub.2 represents lower alkyl, and R.sub.3 represents hydrogen or lower alkyl, whereby R.sub.2 and R.sub.3 as lower alkyl can be bound directly, or in .beta.- or .gamma.-position also by way of oxygen, sulphur or the imino radical or a lower alkylimino radical, and the rings A and B independently of each other can be unsubstituted or substituted, and to their addition salts with inorganic and organic acids, in particular the pharmaceutically acceptable acid addition salts. These new compounds possess valuable pharmacological properties. In particular they have an anticonvulsive activity and are useful for the treatment of epilepsy and of conditions of tension and of agitation. Specific embodiments are the 1-[2-(o-chlorobenzoyl)-4-chlorophenyl]-5-(morpholinomethyl)-1H-1,2,4-triaz ole-3-carboxamide and the N,N-dimethyl-1-[2-(o-fluorobenzoyl)-4-chlorophenyl]-5-[(dimethylamino)-met hyl]-1H-1,2,4-triazole-3-carboxamide.

  本发明涉及一种新的三唑衍生物，其化学式为##STR1## 其中R.sub.1代表氢、低碳基、可选的酯化或醚化羟甲基、酰基、可选的功能修饰的羧基、或可选的单取代或双取代氨甲基，R.sub.2代表低碳基，R.sub.3代表氢或低碳基，其中R.sub.2和R.sub.3作为低碳基可以直接结合，或者在β-或γ-位通过氧、硫或亚胺基或低碳基亚胺基结合。环A和B可以独立地未被取代或取代。本发明还涉及这些化合物与无机和有机酸的加合盐，特别是药用可接受的酸加合盐。这些新化合物具有有价值的药理学特性。特别是它们具有抗惊厥活性，适用于治疗癫痫和张力和激动状态的症状。具体实施例包括1-[2-(o-氯苯甲酰)-4-氯苯基]-5-(吗啡啉甲基)-1H-1,2,4-三唑-3-羧酰胺和N,N-二甲基-1-[2-(o-氟苯甲酰)-4-氯苯基]-5-[(二甲氨基)-甲基]-1H-1,2,4-三唑-3-羧酰胺。
• US3947417A
  申请人：——

  公开号：US3947417A

  公开（公告）日：1976-03-30
• US4027029A
  申请人：——

  公开号：US4027029A

  公开（公告）日：1977-05-31
• US4111950A
  申请人：——

  公开号：US4111950A

  公开（公告）日：1978-09-05