| 1221440-06-7

• 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
• CAS: 1221440-06-7
• 化学式: C₂₁H₂₆N₂O₃
• 分子量: 354.449
• InChiKey: HTXLDQDXHZKXLT-BTYIYWSLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  54.56
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  、 (2S)-N-Bromoacetylproline methyl ester 以 乙腈 为溶剂， 反应 2.0h， 以75%的产率得到methyl (12S,14R)-16-ethyl-12-methoxy-1-[2-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxoethyl]-10-aza-1-azoniatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaene-12-carboxylate;bromide
  参考文献：
  名称：

  Elaboration of Simplified Vinca Alkaloids and Phomopsin Hybrids

  摘要：

  Nine simplified vinca alkaloids and phomospin A hybrids, in which vindoline moiety has been replaced by a simpler scaffold, have been elaborated to evaluate their activity on the inhibition of tubulin polymerization. This article deals with the synthesis of various simplified vinca alkaloids, using a stereoselective coupling of catharantine with reactive aromatic compounds and methanol as well as their subsequent condensation with a large peptide chain mimicking those of phomopsin A. Biological evaluation and molecular modeling studies are also reported.

  DOI：

  10.1111/j.1747-0285.2009.00922.x
• 作为产物：
  描述：

  (S)-methoxycleavamine 在 三氟乙酸 、 N-溴代丁二酰亚胺(NBS) 、 silver tetrafluoroborate 作用下， 以 二氯甲烷 、 四氢呋喃 、 水 为溶剂， 反应 3.5h， 以30%的产率得到
  参考文献：
  名称：

  Elaboration of Simplified Vinca Alkaloids and Phomopsin Hybrids

  摘要：

  Nine simplified vinca alkaloids and phomospin A hybrids, in which vindoline moiety has been replaced by a simpler scaffold, have been elaborated to evaluate their activity on the inhibition of tubulin polymerization. This article deals with the synthesis of various simplified vinca alkaloids, using a stereoselective coupling of catharantine with reactive aromatic compounds and methanol as well as their subsequent condensation with a large peptide chain mimicking those of phomopsin A. Biological evaluation and molecular modeling studies are also reported.

  DOI：

  10.1111/j.1747-0285.2009.00922.x