methyl (2R)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-3-phenylpropanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl (2R)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-3-phenylpropanoate
• 化学式: C₃₀H₃₁N₃O₆
• 分子量: 529.593
• InChiKey: YZPKDUQSPHSHMJ-PPJWLVRDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  122
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  D-苯丙氨酸甲酯盐酸盐 在 palladium on activated charcoal benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 生成 methyl (2R)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-3-phenylpropanoate
  参考文献：
  名称：

  The synthesis of amino-acid functionalized β-Carbolines as topoisomerase II inhibitors

  摘要：

  The synthesis and biological activity of amino acid functionalized beta -carboline derivatives, which are structurally related to azatoxin and the tryprostatins, are reported. These compounds were assayed for their growth inhibition properties in H520 and PC3 cell lines and were examined for their abilities to inhibit topoisomerase II-mediated DNA relaxation. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00136-6

文献信息

• The synthesis of amino-acid functionalized β-Carbolines as topoisomerase II inhibitors
  作者：Amy Morin Deveau、Marc A Labroli、Christine M Dieckhaus、Mary T Barthen、Kirsten S Smith、Timothy L Macdonald

  DOI：10.1016/s0960-894x(01)00136-6

  日期：2001.5

  The synthesis and biological activity of amino acid functionalized beta -carboline derivatives, which are structurally related to azatoxin and the tryprostatins, are reported. These compounds were assayed for their growth inhibition properties in H520 and PC3 cell lines and were examined for their abilities to inhibit topoisomerase II-mediated DNA relaxation. (C) 2001 Elsevier Science Ltd. All rights reserved.