N-tert-butyloxycarbonyl-5-(4-cyanophenyl)-2-pyrrolidinone | 461440-95-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: N-tert-butyloxycarbonyl-5-(4-cyanophenyl)-2-pyrrolidinone
• 英文别名: tert-butyl 2-(4-cyanophenyl)-5-oxopyrrolidine-1-carboxylate
• CAS: 461440-95-9
• 化学式: C₁₆H₁₈N₂O₃
• 分子量: 286.331
• InChiKey: PBABHGMMCAIMNU-UHFFFAOYSA-N

物化性质

• 沸点：
  475.0±45.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  70.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-tert-butyloxycarbonyl-5-(4-cyanophenyl)-2-pyrrolidinone 在 lithium hexamethyldisilazane 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 tert-butyl (3R,5R)-5-(4-cyanophenyl)-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
  参考文献：
  名称：

  2-Aryl(pyrrolidin-4-yl)acetic acids are potent agonists of sphingosine-1-phosphate (S1P) receptors

  摘要：

  A series of 2-aryl(pyrrolidin-4-yl)acetic acids were synthesized and their biological activities were evaluated as agonists of SIP receptors. These analogs were able to induce lowering of lymphocyte counts in the peripheral blood of mice and were found to have good overall pharmacokinetic properties in rat. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.090
• 作为产物：
  描述：

  5-(4-羟基-苯基)-吡咯烷-2-酮 在 4-二甲氨基吡啶 、 四(三苯基膦)钯 、 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， 生成 N-tert-butyloxycarbonyl-5-(4-cyanophenyl)-2-pyrrolidinone
  参考文献：
  名称：

  2-Aryl(pyrrolidin-4-yl)acetic acids are potent agonists of sphingosine-1-phosphate (S1P) receptors

  摘要：

  A series of 2-aryl(pyrrolidin-4-yl)acetic acids were synthesized and their biological activities were evaluated as agonists of SIP receptors. These analogs were able to induce lowering of lymphocyte counts in the peripheral blood of mice and were found to have good overall pharmacokinetic properties in rat. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.090

文献信息

• Delta1 pyrrolines
  申请人：——

  公开号：US20040152904A1

  公开（公告）日：2004-08-05

  The invention relates to novel &Dgr; 1 -pyrrolines of the formula (I) 1 in which R 1 , R 2 , R 3 , R 4 , R 5 , n, r and s have the meanings given in the description, and to a plurality of processes for preparing these substances, to their use for controlling pests, and to novel intermediates and processes for their preparation.

  本发明涉及公式(I)1中的新型&Dgr;1-吡咯烷，其中R1、R2、R3、R4、R5、n、r和s的含义如说明书所述，并涉及多种制备这些物质的方法，它们用于控制害虫，以及新型中间体和制备它们的方法。
• 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists
  申请人：Hale Jeffrey John

  公开号：US20090042954A1

  公开（公告）日：2009-02-12

  The present invention encompasses compounds of Formula I: as well as the pharmaceutically acceptable salts thereof. The compounds are S1P 1 /Edg1 receptor agonists and thus have immunosuppressive, anti-inflammatory and hemostatic activities by modulating leukocyte trafficking, sequestering lymphocytes in secondary lymphoid tissues, and enhancing vascular integrity. The invention is also directed to pharmaceutical compositions containing such compounds and methods of treatment or prevention.

  本发明涵盖I式化合物，以及其药学上可接受的盐。这些化合物是S1P1 / Edg1受体激动剂，因此通过调节白细胞移行，将淋巴细胞隔离在二次淋巴组织中，并增强血管完整性，具有免疫抑制，抗炎和止血活性。本发明还涉及含有这些化合物的制药组合物和治疗或预防的方法。
• 2-(aryl)azacyclylmethyl carboxylates, sulfonates, phosphonates, phosphinates and heterocycles as S1P receptor agonists
  申请人：Merck & Co., Inc.

  公开号：US07659294B2

  公开（公告）日：2010-02-09

  The present invention encompasses compounds of Formula I: as well as the pharmaceutically acceptable salts thereof. The compounds are S1P1/Edg1 receptor agonists and thus have immunosuppressive, anti-inflammatory and hemostatic activities by modulating leukocyte trafficking, sequestering lymphocytes in secondary lymphoid tissues, and enhancing vascular integrity. The invention is also directed to pharmaceutical compositions containing such compounds and methods of treatment or prevention.

  本发明涵盖式I的化合物及其药学上可接受的盐。这些化合物是S1P1/Edg1受体激动剂，因此通过调节白细胞的运动、在二级淋巴组织中隔离淋巴细胞以及增强血管完整性而具有免疫抑制、抗炎和止血活性。本发明还涉及含有这些化合物的药物组合物和治疗或预防的方法。
• WO2006/47195
  申请人：——

  公开号：——

  公开（公告）日：——
• US7659294B2
  申请人：——

  公开号：US7659294B2

  公开（公告）日：2010-02-09