(9-(4-fluorobenzyl)-1-methyl-β-carboline-3-yl)(thiomorpholino)methanone | 1243692-89-8

• 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: (9-(4-fluorobenzyl)-1-methyl-β-carboline-3-yl)(thiomorpholino)methanone
• 英文别名: [9-[(4-Fluorophenyl)methyl]-1-methylpyrido[3,4-b]indol-3-yl]-thiomorpholin-4-ylmethanone
• CAS: 1243692-89-8
• 化学式: C₂₄H₂₂FN₃OS
• 分子量: 419.523
• InChiKey: MVOADTCNHJAYLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  63.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (1-methyl-β-carboline-3-yl)(thiomorpholino)methanone 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以83%的产率得到(9-(4-fluorobenzyl)-1-methyl-β-carboline-3-yl)(thiomorpholino)methanone
  参考文献：
  名称：

  Synthesis and evaluation of β-carboline derivatives as inhibitors of human immunodeficiency virus

  摘要：

  A series of beta-carboline derivatives were synthesized by utilizing aromatization and chemoselective alkylation method recently reported from our laboratory. Synthesized derivatives were evaluated for anti-HIV activity in human CD4+ T cell line (CEM-GFP) infected with HIV-1 NL4.3 virus. 1-Formyl-beta-carboline-3-carbxylic acid methyl ester (15) showed inhibition of human immunodeficiency virus at IC50 = 2.9 mu M. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.052

文献信息

• Synthesis and evaluation of β-carboline derivatives as inhibitors of human immunodeficiency virus
  作者：Keyur G. Brahmbhatt、Nafees Ahmed、Sudeep Sabde、Debashis Mitra、Inder Pal Singh、Kamlesh K. Bhutani

  DOI：10.1016/j.bmcl.2010.06.052

  日期：2010.8

  A series of beta-carboline derivatives were synthesized by utilizing aromatization and chemoselective alkylation method recently reported from our laboratory. Synthesized derivatives were evaluated for anti-HIV activity in human CD4+ T cell line (CEM-GFP) infected with HIV-1 NL4.3 virus. 1-Formyl-beta-carboline-3-carbxylic acid methyl ester (15) showed inhibition of human immunodeficiency virus at IC50 = 2.9 mu M. (C) 2010 Elsevier Ltd. All rights reserved.