3-(3,4-Dichloro-phenyl)-piperidin-3-ol | 749826-38-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-(3,4-Dichloro-phenyl)-piperidin-3-ol
• 英文别名: 3-(3,4-Dichlorophenyl)piperidin-3-ol
• CAS: 749826-38-8
• 化学式: C₁₁H₁₃Cl₂NO
• 分子量: 246.136
• InChiKey: FMCXKWRBSQKTFV-UHFFFAOYSA-N

物化性质

• 沸点：
  390.9±42.0 °C(Predicted)
• 密度：
  1.323±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  三光气 、 4-(methylamino-t-butylcarbonyl)aniline 、 3-(3,4-Dichloro-phenyl)-piperidin-3-ol 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-(3,4-dichlorophenyl)-3-hydroxy piperidine-1-carboxylic acid {4-[(2,2-dimethyl-propionylamino)-methyl]-phenyl}-amide
  参考文献：
  名称：

  Discovery and initial structure–Activity relationships of trisubstituted ureas as thrombin receptor (PAR-1) antagonists

  摘要：

  Thrombin is the most potent agonist of platelet activation, and its effects are predominantly mediated by platelet thrombin receptors. Therefore, antagonists of the thrombin receptor have potential utility for the treatment of thrombotic disorders. Screening of combinatorial libraries revealed 2 to be a potent antagonist of the thrombin receptor. Modifications of this structure produced 11k, which inhibits thrombin receptor stimulated secretion and aggregation of platelets. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00538-8
• 作为产物：
  描述：

  N-BOC-3-羟基哌啶 在 盐酸 、 正丁基锂 、 pyridine-SO3 complex 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 3-(3,4-Dichloro-phenyl)-piperidin-3-ol
  参考文献：
  名称：

  Discovery and initial structure–Activity relationships of trisubstituted ureas as thrombin receptor (PAR-1) antagonists

  摘要：

  Thrombin is the most potent agonist of platelet activation, and its effects are predominantly mediated by platelet thrombin receptors. Therefore, antagonists of the thrombin receptor have potential utility for the treatment of thrombotic disorders. Screening of combinatorial libraries revealed 2 to be a potent antagonist of the thrombin receptor. Modifications of this structure produced 11k, which inhibits thrombin receptor stimulated secretion and aggregation of platelets. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00538-8

文献信息

• ANTAGONISTES DES RECEPTEURS DES NEUROKININES
  申请人：SANOFI

  公开号：EP0700386A1

  公开（公告）日：1996-03-13
• [EN] NEUROKININ RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RECEPTEURS DES NEUROKININES
  申请人：SANOFI

  公开号：WO1995026338A1

  公开（公告）日：1995-10-05

  (EN) Compound of formula (I), wherein W1 is an oxygen atom; an -NR- group wherein R is hydrogen, C1-C7 alkyl or benzyl; and B is for example a substituted piperidine or quinuclidine. The disclosed compounds are useful as neurokinin receptor antagonists.(FR) Composé de formule (I), dans laquelle W1 représente un atome d'oxygène; un groupe -NR- dans lequel R représente un hydrogène, un (C1-C7) alkyle ou un benzyle; B représente par exemple une pipéridine ou quinuclidine substituée en tant qu'antagonistes des récepteurs des neurokinines.
• Discovery and initial structure–Activity relationships of trisubstituted ureas as thrombin receptor (PAR-1) antagonists
  作者：James C Barrow、Philippe G Nantermet、Harold G Selnick、Kristen L Glass、Phung L Ngo、Mary Beth Young、Janetta M Pellicore、Michael J Breslin、John H Hutchinson、Roger M Freidinger、Cindra Condra、Jerzy Karczewski、Rodney A Bednar、Stanley L Gaul、Andrew Stern、Robert Gould、Thomas M Connolly

  DOI：10.1016/s0960-894x(01)00538-8

  日期：2001.10

  Thrombin is the most potent agonist of platelet activation, and its effects are predominantly mediated by platelet thrombin receptors. Therefore, antagonists of the thrombin receptor have potential utility for the treatment of thrombotic disorders. Screening of combinatorial libraries revealed 2 to be a potent antagonist of the thrombin receptor. Modifications of this structure produced 11k, which inhibits thrombin receptor stimulated secretion and aggregation of platelets. (C) 2001 Elsevier Science Ltd. All rights reserved.