tert-butyl (2S,4R)-4-tert-butylsulfanyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate | 1315591-40-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: tert-butyl (2S,4R)-4-tert-butylsulfanyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate
• CAS: 1315591-40-2
• 化学式: C₃₃H₄₁NO₃S
• 分子量: 531.759
• InChiKey: WQDXCGGNQWYIMT-URLMMPGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  64.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl (2S,4R)-4-tert-butylsulfanyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Novel series of pyrrolotriazine analogs as highly potent pan-Aurora kinase inhibitors

  摘要：

  The synthesis and SAR for a novel series of pyrrolotriazines as pan-Aurora kinase inhibitors are described. Optimization of the cyclopropane carboxamide terminus of lead compound 1 resulted in analogs with high cellular activity and improved rat PK profiles. Notably, compound 17l demonstrated tumor growth inhibition in a mouse xenograft model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.027
• 作为产物：
  描述：

  tert-butyl (2S,4S)-4-methylsulfonyloxy-2-(trityloxymethyl)pyrrolidine-1-carboxylate 、 2-甲基-2-丙硫醇钠盐 以 N,N-二甲基甲酰胺 为溶剂， 生成 tert-butyl (2S,4R)-4-tert-butylsulfanyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  Novel series of pyrrolotriazine analogs as highly potent pan-Aurora kinase inhibitors

  摘要：

  The synthesis and SAR for a novel series of pyrrolotriazines as pan-Aurora kinase inhibitors are described. Optimization of the cyclopropane carboxamide terminus of lead compound 1 resulted in analogs with high cellular activity and improved rat PK profiles. Notably, compound 17l demonstrated tumor growth inhibition in a mouse xenograft model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.027