2-[1-(4-aminobenzyl)-1H-indol-3-yl]-2-oxo-N-(pyridin-4-yl)acetamide | 344799-91-3

• 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: 2-[1-(4-aminobenzyl)-1H-indol-3-yl]-2-oxo-N-(pyridin-4-yl)acetamide
• 英文别名: N-(pyridin-4-yl)-[1-(4-aminobenzyl)indol-3-yl]glyoxylamide；2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
• CAS: 344799-91-3
• 化学式: C₂₂H₁₈N₄O₂
• 分子量: 370.411
• InChiKey: FVSYLLUZSRCXEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  90
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[1-(4-aminobenzyl)-1H-indol-3-yl]-2-oxo-N-(pyridin-4-yl)acetamide 、 乙酸酐 以79%的产率得到2-[1-(4-(acetylamino)benzyl)-1H-indol-3-yl]-2-oxo-N-(pyridin-4-yl)acetamide
  参考文献：
  名称：

  Synthesis and structure–activity relationships of N-aryl(indol-3-yl)glyoxamides as antitumor agents

  摘要：

  The synthesis and study of the structure-activity relationships of cytotoxic compounds based on N-pyridinyl or N-aryl-2-(1-benzylindol-3-yl)glyoxamide skeleton, represented by the lead structures D-24241 and D-24851, are described. The presence of N-(pyridin-4-yl) moiety was crucial for activity and 2-[1(4-chloro-3-nitrobenzyl)-1H-indol-3-yl]-2-oxo-N-(pyridin-4-yl) acetamide (55), the most potent derivative, showed IC(50) = 39 nM, 51 nM and 11 nM against HeLa/KB (human cervix carcinoma), L1210 (murine leukemia) and SKOV3 (human ovarian carcinoma) cell lines proliferation assay, respectively, as active as the lead compounds. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.07.048
• 作为产物：
  描述：

  2-[1-(4-nitrobenzyl)-1H-indol-3-yl]-2-oxo-N-(pyridin-4-yl)acetamide 在 aluminum nickel 作用下， 以 1,4-二氧六环 、 异丙醇 为溶剂， 生成 2-[1-(4-aminobenzyl)-1H-indol-3-yl]-2-oxo-N-(pyridin-4-yl)acetamide
  参考文献：
  名称：

  Substituted N-benzylindol-3-ylglyoxylic acid derivatives having antitumor action

  摘要：

  本发明涉及以下式子的新型取代N-苄基吲哚-3-基甘氨酸衍生物及其用于治疗肿瘤的用途： 此外，本发明还涉及其生理耐受的酸加盐和可能的N-氧化物。此外，本发明还涉及含有上述式中至少一种化合物或其盐或N-氧化物的制药制剂，其具有生理上可耐受的无机或有机酸，并且如适当，还包含可用于制药的载体和/或稀释剂或辅料，以及上述式中至少一种化合物或其盐的给药形式，包括片剂、包衣片剂、胶囊、输注溶液或安瓿、栓剂、贴片、可通过吸入使用的粉剂制剂、悬浮液、乳霜和软膏。

  公开号：

  US20010014690A1

文献信息

• Substituted N-benzylindol-3-ylglyoxylic acid derivatives having antitumor action
  申请人：——

  公开号：US20010014690A1

  公开（公告）日：2001-08-16

  The invention relates to novel, substituted N-benzyl-indol-3-ylglyoxylic acid derivatives of the following formula and their use for the treatment of oncoses 1 The invention further relates to their physiologically tolerable acid addition salts and if possible their N-oxides. In addition, the invention relates to pharmaceutical preparations containing at least one of the compounds of the abovementioned formula or their salts or N-oxides with physiologically tolerable inorganic or organic acids and, if appropriate, pharmaceutically utilizable vehicles and/or diluents or excipients and also administration forms of the compounds of the abovementioned formula containing at least one of the compounds of this formula or their salts in the form of tablets, coated tablets, capsules, solutions for infusion or ampoules, suppositories, patches, powder preparations which can be employed by inhalation, suspensions, creams and ointments

  本发明涉及以下式子的新型取代N-苄基吲哚-3-基甘氨酸衍生物及其用于治疗肿瘤的用途： 此外，本发明还涉及其生理耐受的酸加盐和可能的N-氧化物。此外，本发明还涉及含有上述式中至少一种化合物或其盐或N-氧化物的制药制剂，其具有生理上可耐受的无机或有机酸，并且如适当，还包含可用于制药的载体和/或稀释剂或辅料，以及上述式中至少一种化合物或其盐的给药形式，包括片剂、包衣片剂、胶囊、输注溶液或安瓿、栓剂、贴片、可通过吸入使用的粉剂制剂、悬浮液、乳霜和软膏。
• Novel benzylamine derivatives as CETP inhibitors
  申请人：Baruah Anima

  公开号：US20060178514A1

  公开（公告）日：2006-08-10

  The present invention provides, among other things, new benzylamine compounds, compositions comprising benzylamine compounds, methods of making benzylamine compounds, and methods of using benzylamine compounds for treating or preventing a variety of conditions or diseases associated with lipoprotein metabolism.

  本发明提供了包括新的苄胺化合物、含有苄胺化合物的组合物、制备苄胺化合物的方法以及使用苄胺化合物治疗或预防与脂蛋白代谢相关的多种疾病或症状的方法等。
• SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS
  申请人：DR. REDDY'S LABORATORIES LTD.

  公开号：US20150216866A1

  公开（公告）日：2015-08-06

  The present invention provides a method for treating or preventing a condition or disease in a human or an animal subject wherein the condition or disease is associated with lipoprotein metabolism, the method comprising administering to the subject a composition comprising benzylamine compounds.

  本发明提供了一种治疗或预防与脂蛋白代谢有关的人类或动物主体的疾病或状况的方法，该方法包括向该主体给予含有苄胺化合物的组合物。
• US06432987B1
  申请人：——

  公开号：——

  公开（公告）日：——
• SUBSTITUIERTE N-BENZYL-INDOL-3-YL- GLYOXYLSÄURE-DERIVATE ANTITUMORWIRKUNG
  申请人：Zentaris AG

  公开号：EP1240157A2

  公开（公告）日：2002-09-18