1-methyl-2-(1-pyrrolidinyl)-1H-benzimidazol-5-amine | 832102-71-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1-methyl-2-(1-pyrrolidinyl)-1H-benzimidazol-5-amine
• 英文别名: 1-Methyl-2-(pyrrolidin-1-yl)-1H-benzimidazol-5-amine；1-methyl-2-pyrrolidin-1-ylbenzimidazol-5-amine
• CAS: 832102-71-3
• 化学式: C₁₂H₁₆N₄
• 分子量: 216.286
• InChiKey: CKQWIXDWKBDYDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  47.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methyl-2-(1-pyrrolidinyl)-1H-benzimidazol-5-amine 、 methyl 5-(4-chlorophenyl)-3-{[(1E)-(dimethylamino)methylidene]amino}-2-thiophenecarboxylate 在 苯酚 作用下， 生成 6-(4-Chlorophenyl)-3-(1-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)thieno[3,2-d]pyrimidin-4-one
  参考文献：
  名称：

  Novel benzimidazole-based MCH R1 antagonists

  摘要：

  The identification of an MCH R1 antagonist screening hit led to the optimization of a class of benzimidazole-based MCH R1 antagonists. Structure-activity relationships and efforts to optimize pharmacokinetic properties are detailed along with the demonstration of the effectiveness of an MCH R1 antagonist in an animal model of obesity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.054
• 作为产物：
  描述：

  2-氯-1-甲基-5-硝基-1H-苯并咪唑 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 生成 1-methyl-2-(1-pyrrolidinyl)-1H-benzimidazol-5-amine
  参考文献：
  名称：

  Novel benzimidazole-based MCH R1 antagonists

  摘要：

  The identification of an MCH R1 antagonist screening hit led to the optimization of a class of benzimidazole-based MCH R1 antagonists. Structure-activity relationships and efforts to optimize pharmacokinetic properties are detailed along with the demonstration of the effectiveness of an MCH R1 antagonist in an animal model of obesity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.054

文献信息

• [EN] HETEROCYCLIC MCHR1 ANTAGONISTS<br/>[FR] ANTAGONISTES HETEROCYCLIQUES DE MCHR1
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2004092181A9

  公开（公告）日：2005-01-27

  [EN] This invention relates to novel heterocycles which are antagonists at the melanin-concentrating hormone receptor 1 (MCHR1), also referred to as 11CBy, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in medicines. Compounds of the invention have formula (I).
  [FR] L'invention concerne des dérivés de benzopyrane substitués, des stéréoisomères et des sels pharmaceutiquement acceptables desdits composés, ainsi que des procédés appropriés pour les préparer. Les composés de la présente invention s'utilisent comme agonistes du récepteur beta des oestrogènes. De tels agonistes s'utilisent dans le traitement d'affections induites par le récepteur beta des oestrogènes, telles que le cancer de la prostate ou l'hyperplasie prostatique bénigne (HPB).
• Novel benzimidazole-based MCH R1 antagonists
  作者：Andrew J. Carpenter、Kamal A. Al-Barazanji、Kevin K. Barvian、Michael J. Bishop、Christy S. Britt、Joel P. Cooper、Aaron S. Goetz、Mary K. Grizzle、Donald L. Hertzog、Diane M. Ignar、Ronda O. Morgan、Gregory E. Peckham、Jason D. Speake、Will R. Swain

  DOI：10.1016/j.bmcl.2006.07.054

  日期：2006.10

  The identification of an MCH R1 antagonist screening hit led to the optimization of a class of benzimidazole-based MCH R1 antagonists. Structure-activity relationships and efforts to optimize pharmacokinetic properties are detailed along with the demonstration of the effectiveness of an MCH R1 antagonist in an animal model of obesity. (c) 2006 Elsevier Ltd. All rights reserved.