2-(1-(2-fluorobenzyl)-1H-indol-3-yl)-2-oxo-acetyl chloride

• 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-(2-fluorobenzyl)-1H-indol-3-yl)-2-oxo-acetyl chloride
• 英文别名: 2-[1-[(2-Fluorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride
• 化学式: C₁₇H₁₁ClFNO₂
• 分子量: 315.731
• InChiKey: AWBHBKAVQBPSFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  39.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  草酰氯 、 1-(2-fluorobenzyl)-1H-indole 以 乙醚 为溶剂， 生成 2-(1-(2-fluorobenzyl)-1H-indol-3-yl)-2-oxo-acetyl chloride
  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

文献信息

• 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity
  申请人：——

  公开号：US20040029858A1

  公开（公告）日：2004-02-12

  2-(III-Indol-3-yl)-2-oxo-acetamide derivatives of formula (I) having antitumor activity in particular against solid tumors, specifically colon and lung tumors. 1

  公式（I）的2-(III-Indol-3-yl)-2-oxo-acetamide衍生物具有抗肿瘤活性，特别是对固体肿瘤，特别是结肠和肺肿瘤。
• 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY
  申请人：Novuspharma S.p.A.

  公开号：EP1322646A1

  公开（公告）日：2003-07-02
• US6987122B2
  申请人：——

  公开号：US6987122B2

  公开（公告）日：2006-01-17
• [EN] 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY<br/>[FR] AMIDES D'ACIDE ACETIQUE 2-(1H-INDOL-3-YL)-2-OXO A ACTIVITE ANTITUMORALE
  申请人：NOVUSPHARMA SPA

  公开号：WO2002008225A1

  公开（公告）日：2002-01-31

  2-(1H-Indol-3-yl)-2-oxo-acetamide derivatives of formula (I) having antitumor activity in particular against solid tumors, specifically colon and lung tumors.