3-[5-[[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methoxy-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-1,2-oxazole | 1000357-37-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-[5-[[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methoxy-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-1,2-oxazole
• CAS: 1000357-37-8
• 化学式: C₂₂H₂₆N₄O₄S₂
• 分子量: 474.605
• InChiKey: HMVJAUAYUFHGDN-GASCZTMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  6-((3R,5S)-3,5-Dimethyl-piperazin-1-yl)-5-methoxy-2,3-dihydro-1H-indole 、 5-异恶唑-3-噻酚-2-磺酰氯 在 polystyryl-N-methylmorpholine 作用下， 以 二氯甲烷 为溶剂， 生成 3-[5-[[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methoxy-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-1,2-oxazole
  参考文献：
  名称：

  Potent achiral agonists of the ghrelin (growth hormone secretagogue) receptor. Part I: Lead identification

  摘要：

  High throughput screening combined with efficient datamining and parallel synthesis led to the discovery of a novel series of indolines showing potent in vitro ghrelin receptor agonist activity and acceleration of gastric emptying in rats. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.067

文献信息

• Potent achiral agonists of the ghrelin (growth hormone secretagogue) receptor. Part I: Lead identification
  作者：Tom D. Heightman、Jackie S. Scott、Mark Longley、Vincent Bordas、David K. Dean、Richard Elliott、Gail Hutley、Jason Witherington、Lee Abberley、Barry Passingham、Manuela Berlanga、Maite de los Frailes、Alan Wise、Ben Powney、Alison Muir、Fiona McKay、Sharon Butler、Kim Winborn、Christopher Gardner、Jill Darton、Colin Campbell、Gareth Sanger

  DOI：10.1016/j.bmcl.2007.09.067

  日期：2007.12

  High throughput screening combined with efficient datamining and parallel synthesis led to the discovery of a novel series of indolines showing potent in vitro ghrelin receptor agonist activity and acceleration of gastric emptying in rats. (c) 2007 Elsevier Ltd. All rights reserved.