1-[2-oxo-2-(9H-carbazol-9-yl)ethyl]-4-methylpyridinium chloride | 1422532-44-2

• 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: 1-[2-oxo-2-(9H-carbazol-9-yl)ethyl]-4-methylpyridinium chloride
• 英文别名: 1-Carbazol-9-yl-2-(4-methylpyridin-1-ium-1-yl)ethanone;chloride；1-carbazol-9-yl-2-(4-methylpyridin-1-ium-1-yl)ethanone;chloride
• CAS: 1422532-44-2
• 化学式: C₂₀H₁₇N₂O*Cl
• 分子量: 336.821
• InChiKey: VYLMGDNOQOULAG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.73
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  25.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[2-oxo-2-(9H-carbazol-9-yl)ethyl]-4-methylpyridinium chloride 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 2-氰基-3-乙氧基丙烯酸乙酯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 咔唑
  参考文献：
  名称：

  Synthesis and biological evaluation of a new series of phenothiazine-containing protein farnesyltransferase inhibitors

  摘要：

  Two new families of human farnesyltransferase inhibitors 13a-m and 14a-d, based on a phenothiazine scaffold, were synthesized. Compounds 14a and 14b were the most promising inhibitors of human farnesyltransferase with IC50 values of 0.7 and 0.6 mu M, respectively. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.11.008
• 作为产物：
  描述：

  4-甲基吡啶 、 1-(9-咔唑)-2-氯乙烷酮 以 乙酸乙酯 为溶剂， 反应 24.0h， 以78%的产率得到1-[2-oxo-2-(9H-carbazol-9-yl)ethyl]-4-methylpyridinium chloride
  参考文献：
  名称：

  Synthesis and biological evaluation of a new series of phenothiazine-containing protein farnesyltransferase inhibitors

  摘要：

  Two new families of human farnesyltransferase inhibitors 13a-m and 14a-d, based on a phenothiazine scaffold, were synthesized. Compounds 14a and 14b were the most promising inhibitors of human farnesyltransferase with IC50 values of 0.7 and 0.6 mu M, respectively. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.11.008

文献信息

• Synthesis and biological evaluation of a new series of phenothiazine-containing protein farnesyltransferase inhibitors
  作者：Cristina-Maria Abuhaie、Alina Ghinet、Amaury Farce、Joëlle Dubois、Philippe Gautret、Benoît Rigo、Dalila Belei、Elena Bîcu

  DOI：10.1016/j.ejmech.2012.11.008

  日期：2013.1

  Two new families of human farnesyltransferase inhibitors 13a-m and 14a-d, based on a phenothiazine scaffold, were synthesized. Compounds 14a and 14b were the most promising inhibitors of human farnesyltransferase with IC50 values of 0.7 and 0.6 mu M, respectively. (C) 2012 Elsevier Masson SAS. All rights reserved.