N-(4-(9H-pyrido[3,4-b]indol-1-yl)phenyl)dodecanamide | 1381771-11-4

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: N-(4-(9H-pyrido[3,4-b]indol-1-yl)phenyl)dodecanamide
• 英文别名: N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]dodecanamide
• CAS: 1381771-11-4
• 化学式: C₂₉H₃₅N₃O
• 分子量: 441.616
• InChiKey: MVORCHTUCKVFFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  57.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  DL-色氨酸 在 盐酸 、 potassium dichromate 、 硫酸 、 tin(ll) chloride 作用下， 以 乙醇 、 二氯甲烷 、 水 、 溶剂黄146 为溶剂， 反应 4.58h， 生成 N-(4-(9H-pyrido[3,4-b]indol-1-yl)phenyl)dodecanamide
  参考文献：
  名称：

  Synthesis and anti-leishmanial activity of 1-aryl-β-carboline derivatives against Leishmania donovani

  摘要：

  beta-carbolines from various natural and synthetic sources have been known to show diverse biological activities. As a part of our current ongoing project to search for potent natural product-derived anti-leishmanial compounds, we have synthesized a series of substituted 1-aryl-beta-carboline derivatives. A total of 22 compounds were synthesized and tested in vitro against Leishmania donovani, out of which 6 compounds (4, 5, 10, 11, 19 and 22) showed notably more activity than the standard miltefosine (IC50 12.07 +/- 0.82 mu M), with compound 4 being the most potent (IC50 2.16 +/- 0.26 mu M). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.115

文献信息

• Synthesis and anti-leishmanial activity of 1-aryl-β-carboline derivatives against Leishmania donovani
  作者：Vikrantsinh M. Gohil、Keyur G. Brahmbhatt、Philippe M. Loiseau、Kamlesh K. Bhutani

  DOI：10.1016/j.bmcl.2012.04.115

  日期：2012.6

  beta-carbolines from various natural and synthetic sources have been known to show diverse biological activities. As a part of our current ongoing project to search for potent natural product-derived anti-leishmanial compounds, we have synthesized a series of substituted 1-aryl-beta-carboline derivatives. A total of 22 compounds were synthesized and tested in vitro against Leishmania donovani, out of which 6 compounds (4, 5, 10, 11, 19 and 22) showed notably more activity than the standard miltefosine (IC50 12.07 +/- 0.82 mu M), with compound 4 being the most potent (IC50 2.16 +/- 0.26 mu M). (C) 2012 Elsevier Ltd. All rights reserved.