[1-(3,3-Diphenyl-propyl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester | 374725-23-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [1-(3,3-Diphenyl-propyl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[1-(3,3-diphenylpropyl)pyrrolidin-3-yl]carbamate
• CAS: 374725-23-2
• 化学式: C₂₄H₃₂N₂O₂
• 分子量: 380.53
• InChiKey: OWKWDDLUYYPAFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [1-(3,3-Diphenyl-propyl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 生成 1-(3,3-Diphenyl-propyl)-pyrrolidin-3-ylamine
  参考文献：
  名称：

  Small molecule antagonists of the CCR2b receptor. Part 2: Discovery process and initial structure–activity relationships of diamine derivatives

  摘要：

  Structure-activity relationships (SAR) of a weakly active class of CCR2b inhibitors were utilized to initiate a ead evolution program employing the Drug Discovery Engine(TM). Several alternative structural series have been discovered that display nanomolar activity in the CCR2b binding and CCR2b-mediated chemotaxis assays. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.009
• 作为产物：
  描述：

  3-(Boc-氨基)吡咯烷 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 16.0h， 生成 [1-(3,3-Diphenyl-propyl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Small molecule antagonists of the CCR2b receptor. Part 2: Discovery process and initial structure–activity relationships of diamine derivatives

  摘要：

  Structure-activity relationships (SAR) of a weakly active class of CCR2b inhibitors were utilized to initiate a ead evolution program employing the Drug Discovery Engine(TM). Several alternative structural series have been discovered that display nanomolar activity in the CCR2b binding and CCR2b-mediated chemotaxis assays. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.009

文献信息

• Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity
  申请人：——

  公开号：US20040006081A1

  公开（公告）日：2004-01-08

  Compounds of formula (I), compositions comprising them, processes for preparing them and their use in medical therapy (for example modulating CCR5 receptor activity in a warm blooded animal).

  式(I)的化合物，包含它们的组合物，制备它们的方法以及它们在医学疗法中的使用（例如在温血动物中调节CCR5受体活性）。
• 1-Pyridin-4-yl-urea derivatives
  申请人：Aissaoui Hamed

  公开号：US20060094716A1

  公开（公告）日：2006-05-04

  The invention relates to novel 1-pyridin-4-yl urea derivatives and related compounds and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as neurohormonal antagonists.

  本发明涉及新型的1-吡啶-4-基脲衍生物及其相关化合物，以及将其用作制备药物组合物中的活性成分。本发明还涉及相关方面，包括制备该化合物的过程，含有其中一个或多个化合物的药物组合物，特别是它们作为神经激素拮抗剂的用途。
• PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY
  申请人：AstraZeneca AB

  公开号：EP1289957A1

  公开（公告）日：2003-03-12
• 1-PYRIDIN-4-YL-UREA DERIVATIVES
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP1554249A2

  公开（公告）日：2005-07-20
• [EN] PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] DERIVES DE PIPERIDINE PHARMACEUTIQUEMENT ACTIFS, EN PARTICULIER SOUS FORME DE MODULATEURS DE L'ACTIVITE DES RECEPTEURS DE CHIMIOKINE
  申请人：ASTRAZENECA AB

  公开号：WO2001087839A1

  公开（公告）日：2001-11-22

  Compounds of formula (I), compositions comprising them, processes for preparing them and their use in medical therapy (for example modulating CCR5 receptor activity in a warm blooded animal).