4-chloro-3-cyanomethyl-indole-1-carboxylic acid amide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4-chloro-3-cyanomethyl-indole-1-carboxylic acid amide
• 英文别名: 4-chloro-3-(cyanomethyl)indole-1-carboxamide
• 化学式: C₁₁H₈ClN₃O
• 分子量: 233.657
• InChiKey: BKPFIBNKAOWACM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  氯磺酰异氰酸酯 、 4-氯吲哚-3-乙腈 以 二氯甲烷 为溶剂， 反应 1.5h， 以62%的产率得到4-chloro-3-cyanomethyl-indole-1-carboxylic acid amide
  参考文献：
  名称：

  Substituted indoles as alpha-1 agonists

  摘要：

  这项发明涉及α-1受体激动剂化合物，优选为α-1A/L受体激动剂，其由以下式I表示： 1 其中m，A，X，Y，R 1 ，R 2 ，R 3 ，R 4 和R 5 如规范中所定义；或其各个异构体，消旋或非消旋异构体混合物，或其药用盐或溶剂化合物。该发明还涉及含有这种化合物的药物组合物，以及它们作为治疗剂的使用方法和其制备方法。

  公开号：

  US20040224973A1

文献信息

• Method for detecting a gram-negative bacterial autoinducer molecule
  申请人：Dillon Michael Patrick

  公开号：US06979696B2

  公开（公告）日：2005-12-27

  This invention relates to compounds which are alpha-1 receptor agonists, preferably alpha-1A/L receptor agonists, and which are represented by Formula I: wherein m, A, X, Y, R 1 , R 2 , R 3 , R 4 and R 5 are as defined in the specification; or individual isomers, racemic or non-racemic mixtures of isomers, or pharmaceutically acceptable salts or solvates thereof. The invention further relates to pharmaceutical compositions containing such compounds, methods for their use as therapeutic agents, and methods of preparation thereof.

  本发明涉及一种α-1受体激动剂化合物，优选为α-1A/L受体激动剂，其由式I表示：其中m，A，X，Y，R1，R2，R3，R4和R5如规范中定义；或其各个异构体、外消旋或非外消旋异构体混合物或其药学上可接受的盐或溶剂化物。本发明还涉及含有这种化合物的药物组合物，以及将其用作治疗剂的方法和制备方法。
• METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1660484A1

  公开（公告）日：2006-05-31
• US6979696B2
  申请人：——

  公开号：US6979696B2

  公开（公告）日：2005-12-27
• [EN] METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPH-1 ADRENERGIC AGONISTS<br/>[FR] METHYLE INDOLES ET METHYLE PYRROLOPYRIDINES SERVANT D'AGONISTES DU RECEPTEUR ADRENERGIQUE ALPHA-1
  申请人：HOFFMANN LA ROCHE

  公开号：WO2004099189A1

  公开（公告）日：2004-11-18

  This invention relates to compounds which are alpha- 1 receptor agonists, preferably alpha-1A/L receptor agonists, and which are represented by Formula (I), wherein m, A, X, Y, R1, R2, R3, R4 and R5 are as defined in the specification; or individual isomers, racemic or non­racemic mixtures of isomers, or pharmaceutically acceptable salts or solvates thereof. The invention further relates to pharmaceutical compositions containing such compounds, methods for their use as therapeutic agents, and methods of preparation thereof.
• Substituted indoles as alpha-1 agonists
  申请人：——

  公开号：US20040224973A1

  公开（公告）日：2004-11-11

  This invention relates to compounds which are alpha-1 receptor agonists, preferably alpha-1A/L receptor agonists, and which are represented by Formula I: 1 wherein m, A, X, Y, R 1 , R 2 , R 3 , R 4 and R 5 are as defined in the specification; or individual isomers, racemic or non-racemic mixtures of isomers, or pharmaceutically acceptable salts or solvates thereof. The invention further relates to pharmaceutical compositions containing such compounds, methods for their use as therapeutic agents, and methods of preparation thereof.

  这项发明涉及α-1受体激动剂化合物，优选为α-1A/L受体激动剂，其由以下式I表示： 1 其中m，A，X，Y，R 1 ，R 2 ，R 3 ，R 4 和R 5 如规范中所定义；或其各个异构体，消旋或非消旋异构体混合物，或其药用盐或溶剂化合物。该发明还涉及含有这种化合物的药物组合物，以及它们作为治疗剂的使用方法和其制备方法。