(2S,4R)-tert-butyl 4-(((9H-fluoren-9-yl)methoxy)carbonylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxylate | 935746-27-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: (2S,4R)-tert-butyl 4-(((9H-fluoren-9-yl)methoxy)carbonylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
• 英文别名: tert-butyl (2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
• CAS: 935746-27-3
• 化学式: C₂₅H₃₀N₂O₅
• 分子量: 438.524
• InChiKey: FNVCIEFCYYRFHE-SJORKVTESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  88.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2S,4R)-tert-butyl 4-(((9H-fluoren-9-yl)methoxy)carbonylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxylate 在 四氢吡咯 、 盐酸 、 N,N-二异丙基乙胺 、 potassium iodide 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 2-((2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl)-N-(4-((4-((5-methyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)thio)phenyl)acetamide
  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：

  N-叔丁氧羰基-反-4-N-芴甲氧羰基-氨基-L-脯氨酸 在 硼烷四氢呋喃络合物 作用下， 以83%的产率得到(2S,4R)-tert-butyl 4-(((9H-fluoren-9-yl)methoxy)carbonylamino)-2-(hydroxymethyl)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

文献信息

• Pyrrolidinyl beta-amino amide-based inhibitors of dipeptidyl peptidase IV and methods
  申请人：O'Connor P. Stephen

  公开号：US20070099913A1

  公开（公告）日：2007-05-03

  Compounds are provided having the formula: wherein R 1 , R 2 , R 2′ , R 3 , R 3′ , R 4 , R 4′ R 5 , X, Y and Z are as defined herein.

  提供具有以下公式的化合物：其中R1、R2、R2′、R3、R3′、R4、R4′、R5、X、Y和Z的定义如本文所述。
• Certain chemical entities, compositions, and methods
  申请人：Qian Xiangping

  公开号：US20080194633A1

  公开（公告）日：2008-08-14

  Chemical entities that modulate smooth muscle myosin and/or non-muscle myosin, pharmaceutical compositions and methods of treatment of diseases and conditions associated with smooth muscle myosin and/or non-muscle myosin are described.

  本文描述了调节平滑肌肌球蛋白和/或非肌肉肌球蛋白的化学物质实体，制药组合物以及治疗与平滑肌肌球蛋白和/或非肌肉肌球蛋白相关的疾病和病状的方法。
• WO2008/16676
  申请人：——

  公开号：——

  公开（公告）日：——
• US8071625B2
  申请人：——

  公开号：US8071625B2

  公开（公告）日：2011-12-06
• [EN] PYRROLIDINYL BETA-AMINO AMIDE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS<br/>[FR] INHIBITEURS À BASE D'AMIDE ET DE BÊTA-AMINO DE PYRROLIDINYLE DE LA DIPEPTIDYL PEPTIDASE IV ET PROCÉDÉS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2007053819A2

  公开（公告）日：2007-05-10

  [EN] Compounds are provided having the formula: [INSERT CHEMICAL STRUCTURE HERE] and [INSERT CHEMICAL STRUCTURE HERE] wherein R1, R2, R2', R3, R3', R4, R4' R5, X, Y and Z are as defined herein.
  [FR] L'invention concerne des composés de la formule : [STRUCTURES CHIMIQUES A INSERER] dans lesquelles R1, R2, R2', R3, R3', R4, R4', R5, X, Y et Z sont tels que définis ici.