3-(2-chloro-4-(2-phenylethyl)benzyl)-2-methyl-5-((4-methylbenzene)sulfonylcarbamoyl)indole | 245367-87-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 3-(2-chloro-4-(2-phenylethyl)benzyl)-2-methyl-5-((4-methylbenzene)sulfonylcarbamoyl)indole
• 英文别名: 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-1H-indole-5-carboxamide
• CAS: 245367-87-7
• 化学式: C₃₂H₂₉ClN₂O₃S
• 分子量: 557.113
• InChiKey: NZICHKVVHDCGTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  87.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(2-chloro-4-(2-phenylethenyl)benzyl)-2-methyl-5-((4-methylbenzene)sulfonylcarbamoyl)indole 在 溶剂黄146 作用下， 以 乙酸乙酯 为溶剂， 生成 3-(2-chloro-4-(2-phenylethyl)benzyl)-2-methyl-5-((4-methylbenzene)sulfonylcarbamoyl)indole
  参考文献：
  名称：

  EP1070705

  摘要：

  公开号：

文献信息

• Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors
  申请人：McDonald J. Joseph

  公开号：US20050209278A1

  公开（公告）日：2005-09-22

  This invention is directed generally to proteinase (also known as “protease”) inhibitors, and, more particularly, to piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids that, inter alia, inhibit matrix metalloproteinase (also known as “matrix metalloprotease” or “MMP”) activity and/or aggrecanase activity. Such hydroxamic acids generally correspond in structure to the following formula: (wherein A 1 , A 2 , Y, E 1 , E 2 , E 3 , and R x are as defined in this specification), and further include salts of such compounds. This invention also is directed to compositions of such hydroxamic acids, intermediates for the syntheses of such hydroxamic acids, methods for making such hydroxamic acids, and methods for treating conditions (particularly pathological conditions) associated with MMP activity and/or aggrecanase activity.

  这项发明通常涉及蛋白酶抑制剂（也称为“蛋白酶”），更具体地涉及哌啶基和哌嗪基磺酰甲基羟肟酸，该类化合物在结构上抑制基质金属蛋白酶（也称为“基质金属蛋白酶”或“MMP”）活性和/或聚集素酶活性。这类羟肟酸通常对应以下结构式： （其中A1、A2、Y、E1、E2、E3和Rx如本说明书中所定义），还包括这类化合物的盐。这项发明还涉及这类羟肟酸的组合物、合成这类羟肟酸的中间体、制备这类羟肟酸的方法，以及治疗与MMP活性和/或聚集素酶活性相关的疾病（特别是病理性疾病）的方法。
• Indole derivatives
  申请人：Yamasaki Noritsugu

  公开号：US20050171185A1

  公开（公告）日：2005-08-04

  A novel indole derivative or a salt thereof is provided, which is represented by the formula: wherein R 1 represents an aryl lower alkyl group, said aryl group may be substituted with one or more groups selected from the group consisting of a halogen atom, an aryl group, a heterocyclic group, an aryl lower alkyl group, an aryl lower alkenyl group, a halo-lower alkyl group, a lower cycloalkyl-lower alkoxy group, a lower cycloalkoxy-lower alkyl group, an aryl lower alkynyl group, an aryloxy lower alkyl group, an aryl lower alkoxy group, a lower alkylthio group, a lower alkoxy group, and an alkenyl group; and R 2 represents a lower alkyl group, a lower alkenyl group, an aryl group, or a heterocyclic group, each of which may be substituted with a hydrogen atom, a lower alkyl group, a lower alkenyl group, or an aryl group. The compound of the present invention has blood sugar level-depressing activity and PDE5-inhibiting activity, and is useful as medicine.

  本发明提供了一种新的吲哚衍生物或其盐，其表示为以下公式：其中，R1表示芳基低烷基基团，所述芳基基团可以用以下一种或多种基团替代：卤原子、芳基基团、杂环基团、芳基低烷基基团、芳基低烯基基团、卤代低烷基基团、低环烷基低烷氧基团、低环烷氧基低烷基基团、芳基低炔基基团、芳氧基低烷基基团、芳基低烷氧基团、低烷基硫基团、低烷氧基团和烯基基团；R2表示低烷基基团、低烯基基团、芳基基团或杂环基团，每个基团可以用氢原子、低烷基基团、低烯基基团或芳基基团替代。本发明化合物具有降低血糖水平的活性和PDE5抑制活性，并可用作药物。
• BENZIMIDAZOLE DERIVATIVES
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1020452A1

  公开（公告）日：2000-07-19

  A novel benzimidazole derivative or a salt thereof is provided, which is represented by the formula: wherein R1 represents an alkyl group, etc., R2 represents a substituted or unsubstituted aromatic lower alkyl group, R3 represents an alkyl group, etc., and -X- is represented by the following formula (V): etc. This derivative or a salt thereof is useful as medicine.

  本发明提供了一种新型苯并咪唑衍生物或其盐，由式表示： 其中 R1 代表烷基等，R2 代表取代或未取代的芳香族低级烷基，R3 代表烷基等，-X- 由下式（V）表示： 等。这种衍生物或其盐可用作药物。
• INDOLE DERIVATIVES
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1070705A1

  公开（公告）日：2001-01-24

  Novel indole derivatives represented by formula (I) or salts thereof, wherein R1 is aryl-substituted lower alkyl in which the aryl may be substituted by at least one member selected among halogen atoms, aryls, heterocyclic groups, aryl-substituted lower alkyls, aryl-substituted lower alkenyls, lower haloalkyls, (lower cycloalkyl)-substituted lower alkyloxys, (lower cycloalkyloxy)-substituted lower alkyls, aryl-substituted lower alkynyls, aryloxy-substituted lower alkyls, aryl-substituted lower alkyloxys, lower alkylthios, lower alkyloxys, and alkenyls; and R2 is a lower alkyl, lower alkenyl, aryl, or heterocyclic group optionally substituted by halogeno, lower alkyl, lower alkenyl, or aryl. These compounds have a hypoglycemic activity and a PDE5 inhibitory activity and are useful as a drug.

  低级卤代烷基、（低级环烷基）取代的低级烷氧基、（低级环烷氧基）取代的低级烷基、芳基取代的低级炔基、芳氧基取代的低级烷基、芳基取代的低级烷氧基、低级烷硫基、低级烷氧基和烯基；R2 是可选被卤素、低级烷基、低级烯基或芳基取代的低级烷基、低级烯基、芳基或杂环基团。这些化合物具有降血糖活性和 PDE5 抑制活性，可用作药物。
• US6420409B1
  申请人：——

  公开号：US6420409B1

  公开（公告）日：2002-07-16