4-(4-氯苯基)-4-氧代-3-苯基丁酸 | 101272-92-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: 4-(4-氯苯基)-4-氧代-3-苯基丁酸
• 英文名称: β-p-Chlorbenzoyl-β-phenyl-propionsaeure
• 英文别名: 4-(4-Chlorophenyl)-4-oxo-3-phenylbutanoic acid
• CAS: 101272-92-8
• 化学式: C₁₆H₁₃ClO₃
• 分子量: 288.73
• InChiKey: OZWWBBUADNEKHF-UHFFFAOYSA-N

物化性质

• 熔点：
  147-148 °C(Solv: benzene (71-43-2))
• 沸点：
  476.1±35.0 °C(Predicted)
• 密度：
  1.300±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  4-(4-氯苯基)-4-氧代-3-苯基丁酸 在 一水合肼 、 sodium 3-nitrobenzenesulfonate 作用下， 以 sodium hydroxide 、 乙醇 为溶剂， 反应 4.0h， 生成 6-(4-Chloro-phenyl)-5-phenyl-2H-pyridazin-3-one
  参考文献：
  名称：

  Mono- and Di-substituted 5,6-Diphenyl-3-alkylaminopyridazines Active as ACAT Inhibitors

  摘要：

  A series of mono- or di-para-substituted 5,6-diphenyl-3-alkylaminopyridazines were synthesized and their inhibitory activity against acylCoA:cholesterol acyltransferase (ACAT) was tested on the enzyme prepared from rat liver microsomes. The compound which combines a chlorine atom on the 6-phenyl ring and a n-hexylamino chain showed a significant enhancement of activity with respect to the unsubstituted derivative. Attempts to correlate the activity of the compounds to their structural features, also through theoretical calculations, are reported.

  DOI：

  10.3987/com-01-9351
• 作为产物：
  描述：

  3-Phenyl-3-(4-chlor-benzoyl)-propionsaeure-aethylester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以78.4%的产率得到4-(4-氯苯基)-4-氧代-3-苯基丁酸
  参考文献：
  名称：

  Mono- and Di-substituted 5,6-Diphenyl-3-alkylaminopyridazines Active as ACAT Inhibitors

  摘要：

  A series of mono- or di-para-substituted 5,6-diphenyl-3-alkylaminopyridazines were synthesized and their inhibitory activity against acylCoA:cholesterol acyltransferase (ACAT) was tested on the enzyme prepared from rat liver microsomes. The compound which combines a chlorine atom on the 6-phenyl ring and a n-hexylamino chain showed a significant enhancement of activity with respect to the unsubstituted derivative. Attempts to correlate the activity of the compounds to their structural features, also through theoretical calculations, are reported.

  DOI：

  10.3987/com-01-9351

文献信息

• [EN] TETRAHYDROPYRIDAZINES, COMPOSITIONS COMPRISING THEM AND USES THEREOF<br/>[FR] TÉTRAHYDROPYRIDAZINES, COMPOSITIONS LES COMPRENANT ET LEURS UTILISATIONS
  申请人：INVERSAGO PHARMA INC

  公开号：WO2023108292A1

  公开（公告）日：2023-06-22

  The present document relates to tetrahydropyridazine compounds, pharmaceutical compositions comprising the same and their use in the treatment or prevention of diseases and disorders associated with the cannabinoid CB1receptor. For example, the tetrahydropyridazine compounds, or a tautomeric form and/or salt thereof, are of Formula I, wherein R1to R4, X1, and a are as defined herein.

  本文件涉及四氢哒嗪化合物、包含四氢哒嗪化合物的药物组合物及其在治疗或预防与大麻素 CB1 受体相关的疾病和失调中的用途。例如，四氢哒嗪化合物或其同分异构形式和/或盐为式 I，其中 R1 至 R4、X1 和 a 如本文所定义。
• [EN] CANNABINOID RECEPTOR COMPOUND AND USE THEREOF<br/>[FR] COMPOSÉ RÉCEPTEUR CANNABINOÏDE ET SON UTILISATION<br/>[ZH] 大麻素受体化合物及其用途
  申请人：[en]CHANGCHUN GENESCIENCE PHARMACEUTICAL CO., LTD.;[zh]长春金赛药业有限责任公司

  公开号：WO2024012496A1

  公开（公告）日：2024-01-18

  本发明提供了式I所示的大麻素受体化合物，所述化合物对人CB1受体具有良好的结合能力和反向激动活性，同时几乎不显示对人CB2受体的反向激动活性，因此，该化合物对CB1具有良好的选择性，能够在获得预期药理活性的同时降低与CB2受体相关的副作用。
• Synthesis and SAR of 1,4,5,6-tetrahydropyridazines as potent cannabinoid CB1 receptor antagonists
  作者：Jos H.M. Lange、Arnold P. den Hartog、Martina A.W. van der Neut、Bernard J. van Vliet、Chris G. Kruse

  DOI：10.1016/j.bmcl.2009.08.007

  日期：2009.10

  The synthesis and structure-activity relationship studies of 1,4,5,6-tetrahydropyridazines are described. The target compounds 3-5 represent a novel class of potent and selective CB1 receptor antagonists. (C) 2009 Elsevier Ltd. All rights reserved.
• Mono- and Di-substituted 5,6-Diphenyl-3-alkylaminopyridazines Active as ACAT Inhibitors
  作者：Lucio Toma、Maria Paola Giovannoni、Vittorio Dal Piaz、Byoung-Mog Kwon、Young-Kook Kim、Arianna Gelain、Daniela Barlocco

  DOI：10.3987/com-01-9351

  日期：——

  A series of mono- or di-para-substituted 5,6-diphenyl-3-alkylaminopyridazines were synthesized and their inhibitory activity against acylCoA:cholesterol acyltransferase (ACAT) was tested on the enzyme prepared from rat liver microsomes. The compound which combines a chlorine atom on the 6-phenyl ring and a n-hexylamino chain showed a significant enhancement of activity with respect to the unsubstituted derivative. Attempts to correlate the activity of the compounds to their structural features, also through theoretical calculations, are reported.