[NMe-L-Phe3, NMe-D-Phe6]rhizonin A | 1135915-53-5

• 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: [NMe-L-Phe3, NMe-D-Phe6]rhizonin A
• 英文别名: cyclo[N(Me)Ala-D-N(Me)Phe-D-aIle-D-Val-Val-N(Me)Phe-Leu]；(3S,6S,9S,12S,15R,18R,21R)-9,21-dibenzyl-18-[(2S)-butan-2-yl]-1,3,4,10-tetramethyl-6-(2-methylpropyl)-12,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
• CAS: 1135915-53-5
• 化学式: C₄₆H₆₉N₇O₇
• 分子量: 832.097
• InChiKey: OUZJUIMRRGWNSG-IAZXQVDXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  60
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  177
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 [NMe-L-Phe3, NMe-D-Phe6]rhizonin A
  参考文献：
  名称：

  Structure-based hybridization of the bioactive natural products rhizonin A and ternatin leading to a selective fat-accumulation inhibitor against 3T3-L1 adipocytes

  摘要：

  Based on the structural similarity between the naturally occurring cyclic heptapeptides rhizonin A and ternatin, two novel analogues were designed. The synthetic analogues were assessed with regard to their fat-accumulation inhibitory effect against 3T3-L1 adipocytes, and this led to the discovery of a potent and selective fat-accumulation inhibitor compared to the parent compound rhizonin A. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.109