N-((3S)-1,2,3,4-tetrahydro-β-carboline-3-carboxyl)-Ala-Phe-Trp | 1310735-83-1

• 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: N-((3S)-1,2,3,4-tetrahydro-β-carboline-3-carboxyl)-Ala-Phe-Trp
• 英文别名: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-[[(2S)-2-[[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
• CAS: 1310735-83-1
• 化学式: C₃₅H₃₆N₆O₅
• 分子量: 620.708
• InChiKey: GJIXWWQYEGUWAF-FIPUOLMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  46
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  168
• 氢给体数：
  7
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (S)-2,3,4,9-四氢-1H-吡啶[3,4-b]吲哚-3-羧酸 在 N-甲基吗啉 、 氢氟酸 、 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二甲基硫 、 苯甲醚 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、100.0 kPa 条件下， 反应 22.0h， 生成 N-((3S)-1,2,3,4-tetrahydro-β-carboline-3-carboxyl)-Ala-Phe-Trp
  参考文献：
  名称：

  Novel β-carboline-tripeptide conjugates attenuate mesenteric ischemia/reperfusion injury in the rat

  摘要：

  We have synthesized a series of new beta-carboline-tripeptide conjugates, and examined their anti-inflammatory properties in a mouse model of xylene-induced ear edema. The analgesic capacity of these compounds was further evaluated in a rodent tail flick assay. Our results indicate that beta-carboline conjugate 4a manifests potent anti-inflammatory and analgesic activity while exerting a protective effect against mesenteric ischemia/reperfusion (I/R) injury in the rat. Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2011.03.029

文献信息

• Novel β-carboline-tripeptide conjugates attenuate mesenteric ischemia/reperfusion injury in the rat
  作者：Wei Bi、Yue Bi、Ping Xue、Yanrong Zhang、Xiang Gao、Zhibo Wang、Meng Li、Michele Baudy-Floc’h、Nathaniel Ngerebara、Xiaoxu Li、K. Michael Gibson、Lanrong Bi

  DOI：10.1016/j.ejmech.2011.03.029

  日期：2011.6

  We have synthesized a series of new beta-carboline-tripeptide conjugates, and examined their anti-inflammatory properties in a mouse model of xylene-induced ear edema. The analgesic capacity of these compounds was further evaluated in a rodent tail flick assay. Our results indicate that beta-carboline conjugate 4a manifests potent anti-inflammatory and analgesic activity while exerting a protective effect against mesenteric ischemia/reperfusion (I/R) injury in the rat. Published by Elsevier Masson SAS.