cyclo-(CPEVFLM)-SH | 1366272-74-3

• 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: cyclo-(CPEVFLM)-SH
• 英文别名: cyclo[Cys-Pro-Glu-Val-Phe-Leu-Met]；3-[(3R,6S,9S,12S,15S,18S,21S)-12-benzyl-9-(2-methylpropyl)-6-(2-methylsulfanylethyl)-2,5,8,11,14,17,20-heptaoxo-15-propan-2-yl-3-(sulfanylmethyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-18-yl]propanoic acid
• CAS: 1366272-74-3
• 化学式: C₃₈H₅₇N₇O₉S₂
• 分子量: 820.044
• InChiKey: NBDIFEYYVLCSIA-IRQHXVELSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  56
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  259
• 氢给体数：
  8
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  在 disodium hydrogenphosphate 、 3,3,3-膦三基三丙酸 作用下， 以 水 、 乙腈 为溶剂， 生成 cyclo-(CPEVFLM)-SH
  参考文献：
  名称：

  Short cyclic peptides derived from the C-terminal sequence of α1-antitrypsin exhibit significant anti-HIV-1 activity

  摘要：

  Serpin A1 (alpha 1-AT), the largest subgroup of serpins, presents in human plasma at high concentration and plays important regulatory roles in physiological and pathological processes. Accumulated evidence suggests that alpha 1-AT may play a role in controlling HIV-1 infection. In this study, we designed and synthesized a set of short linear peptides derived from the C-terminal sequence of alpha 1-AT. Since none of them showed significant anti-HIV-1activity, we proceeded to synthesize four short cyclic peptides having 7 amino acids, and we found that three of them exhibited significant anti-HIV-1 activity. One of these cyclic peptides, designated CPM, inhibited HIV-1 entry and infection at low mu M level, indicating that these short cyclic peptides could serve as leads for the development of novel anti-HIV-1 therapeutics. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.02.037