3-[2-(4,5-dihydro-1H-imidazol-2-yl)-ethyl]-indole | 57000-28-9

• 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: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-ethyl]-indole
• 英文别名: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-1H-indole
• CAS: 57000-28-9
• 化学式: C₁₃H₁₅N₃
• 分子量: 213.282
• InChiKey: DNYMIIUXQXGABX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  40.2
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1H-吲哚-3-丙腈 生成 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-ethyl]-indole
  参考文献：
  名称：

  PIOTROWSKA H.; SERAFIN B.; WEJROCH-MATACZ K., POL. J. PHARMACOL. PHARM., 1975, 27, NO 3, 297-303

  摘要：

  DOI：

文献信息

• Antiinflammatory activity of novel indole derivatives
  作者：M Verma、M Tripathi、AK Saxena、K Shanker

  DOI：10.1016/0223-5234(94)90193-7

  日期：1994.1

  3-[(2-Imidazolyl, benzimidazolyl or benzoxazolyl)alkyl]indoles 2a-h were synthesized by cyclizing the carboxylic group of (3-indolyl)alkanoic acids 1 with ethylenediamine, o-phenylenediamine or o-aminophenol, respectively. Reaction of 1 with p-aminoacetophenone or aryl-substituted thiosemicarbazones yielded N-(4-acetylphenyl)-(2 or 4)-(indol-3-yl)alkylcarboxamides 3a-b or l-arylidene 4-[2-(indol-3-yl)(acetyl or propionyl)]thiosemicarbazides 5a-h; 3a-b were cyclized into N-[4-(2-aminothiazol-4-yl)phenyl]-(2 or 4)-(indol-3-yl)alkylcarboxamides 4a-b. Cyclization of 5a-h with malonic acid yielded 1-[2-(indol-3-yl)(acetyl or propionyl)]-3-arylideneamino-2-thiobarbituric acids 6a-h, which were finally converted into corresponding Mannich bases 7a-f. Compounds 2a-h, 4a-b, 6a-h and 7a-f were evaluated for their antiinflammatory activity. Compounds 2e, 2g, 4b, 6c and 6d exhibited promising antiinflammatory activity with a lower ulcerogenic liability than indomethacin.
• KARAKHANOV, R. A.;KELAREV, V. I.;KOKOSOVA, A. S.;NASYROV, I. M.;KUSHETZOV+, PROC. 5TH CONF. APPL. CHEM. UNIT. OPER. AND PROCESS., BALATONFURED, 3-7 S+
  作者：KARAKHANOV, R. A.、KELAREV, V. I.、KOKOSOVA, A. S.、NASYROV, I. M.、KUSHETZOV+

  DOI：——

  日期：——
• PIOTROWSKA H.; SERAFIN B.; WEJROCH-MATACZ K., POL. J. PHARMACOL. PHARM., 1975, 27, NO 3, 297-303
  作者：PIOTROWSKA H.、 SERAFIN B.、 WEJROCH-MATACZ K.

  DOI：——

  日期：——