dianthin H | 1366602-71-2

• 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: dianthin H
• 英文别名: cyclo(PVTIFG)；(6S,9S,12S,15S,18S)-6-benzyl-9-[(2S)-butan-2-yl]-12-[(1R)-1-hydroxyethyl]-15-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
• CAS: 1366602-71-2
• 化学式: C₃₁H₄₆N₆O₇
• 分子量: 614.742
• InChiKey: BIAZNRXHSJRPQY-IQOHNXNXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  186
• 氢给体数：
  6
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 以51%的产率得到dianthin H
  参考文献：
  名称：

  Synthesis and biological evaluation of the osteoblast proliferating cyclic peptides dianthins G and H

  摘要：

  The first synthesis and osteoblast proliferative activity of the naturally occurring cyclic peptides dianthins G and H is described. The greater potency of naturally occurring dianthin G over dianthin H at physiological concentrations mirrored the osteoblast proliferative activity observed for synthetic dianthins G and H. Six alanine-scan analogues of the more potent dianthin G were also synthesised and osteoblast assays revealed that four of the six residues can be further modified for improved activity. We also confirmed by variable temperature H-1 NMR spectroscopic analysis that the sets of major and minor signals observed for dianthins G and H in DMSO-d(6) are in fact due to cis-trans rotational isomers of the praline ring. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.04.035