2-丁基-5,6-二氯-1H-1,3-苯并咪唑 | 133052-59-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 2-丁基-5,6-二氯-1H-1,3-苯并咪唑
• 英文名称: 2-butyl-5,6-dichlorobenzimidazole
• 英文别名: 2-butyl-5,6-dichloro-1H-1,3-benzimidazole；2-butyl-5,6-dichloro-1H-benzimidazole
• CAS: 133052-59-2
• 化学式: C₁₁H₁₂Cl₂N₂
• 分子量: 243.136
• InChiKey: NGCHZYDKACGPOL-UHFFFAOYSA-N

物化性质

• 熔点：
  149-151°

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  2-丁基-5,6-二氯-1H-1,3-苯并咪唑 在 sodium hydroxide 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 4-[(2-butyl-5,6-dichloro-1H-benzimidazol-1-yl)methyl]benzoic acid
  参考文献：
  名称：

  New nonpeptide angiotensin II receptor antagonists. 1. Synthesis, biological properties and structure-activity relationships of 2-alkylbenzimidazole derivatives

  摘要：

  On the basis of an extension of the literature lead 1, a series of benzimidazoles have been synthesized and shown to be angiotensin II (AII) receptor antagonists. The structure-activity relationships of these new antagonists have been explored and the key binding interactions defined. Molecular mechanics calculations were carried out on analogues of imidazole AII antagonists and conformationally restricted analogues were synthesized. The benzimidazole antagonists displaced AII in binding studies in vitro with IC50 values in the range 10(-5)-10(-7) M and antagonized the hypertensive effects of AII in vivo (rats) following intravenous administration with ED50 values in the range of 5-20 mg/kg.

  DOI：

  10.1021/jm00083a011
• 作为产物：
  描述：

  4,5-二氯邻苯二胺 、 ethyl acetate n-hexane 、 ethyl valerimidate 生成 2-丁基-5,6-二氯-1H-1,3-苯并咪唑
  参考文献：
  名称：

  Substituted benzimidazoles as angiotensin II antagonists

  摘要：

  已披露了新的替代苯并咪唑化合物及其衍生物，这些化合物可用作血管紧张素Ⅱ拮抗剂。这些化合物的一般公式为：

  公开号：

  EP0400835A1

文献信息

• Benzimidazole derivatives
  申请人：ZENECA LIMITED

  公开号：EP0399732A1

  公开（公告）日：1990-11-28

  The invention concerns heterocyclic compounds of the formula I (and their physiologically acceptable salts), together with pharmaceutical compositions containing them. The heterocyclic compounds antagonise the actions of angiotensin II and are of value in treating diseases or medical conditions such as hypertension and congestive heart failure in warm-blooded animals. The invention further includes processes for the manufacture of the compounds and their use in medical treatment.

  本发明涉及式 I 的杂环化合物（及其生理上可接受的盐类）以及含有它们的药物组合物。 (及其生理上可接受的盐）以及含有它们的药物组合物。这些杂环化合物能拮抗血管紧张素 II 的作用，对治疗温血动物的高血压和充血性心力衰竭等疾病或病症具有重要价值。本发明还包括化合物的制造工艺及其在医疗中的应用。
• HALOGEN RESISTANT CORROSION INHIBITORS
  申请人：BetzDearborn Inc

  公开号：EP1190112A1

  公开（公告）日：2002-03-27
• US5171748A
  申请人：——

  公开号：US5171748A

  公开（公告）日：1992-12-15
• US6464901B1
  申请人：——

  公开号：US6464901B1

  公开（公告）日：2002-10-15
• [EN] HALOGEN RESISTANT CORROSION INHIBITORS<br/>[FR] INHIBITEURS DE CORROSION RESISTANTS A L'HALOGENE
  申请人：BETZDEARBORN INC

  公开号：WO2000061836A1

  公开（公告）日：2000-10-19

  Non-halogen substituted, nitrogen containing, aromatic compounds are disclosed which are effective copper corrosion inhibitors in aqueous systems being treated with a halogen biocide. The materials of the present invention exhibit copper corrosion inhibition comparable to tolyltriazole in the absence of halogen, copper corrosion rates of less than about 2.5 mills per year in aqueous systems where halogen is present; and do not exhibit a detrimental effect on halogen demand in an aqueous system being treated.