(Z)-2-(3-Chloro-phenyl)-3-[5-(3,4-dichloro-phenyl)-1-(2,5-dichloro-phenyl)-1H-pyrazol-3-yl]-acrylic acid | 648863-79-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (Z)-2-(3-Chloro-phenyl)-3-[5-(3,4-dichloro-phenyl)-1-(2,5-dichloro-phenyl)-1H-pyrazol-3-yl]-acrylic acid
• 英文别名: (Z)-2-(3-chlorophenyl)-3-[1-(2,5-dichlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-3-yl]prop-2-enoic acid
• CAS: 648863-79-0
• 化学式: C₂₄H₁₃Cl₅N₂O₂
• 分子量: 538.644
• InChiKey: ANDWMLSOVVRQGA-WQRHYEAKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (Z)-2-(3-Chloro-phenyl)-3-[5-(3,4-dichloro-phenyl)-1-(2,5-dichloro-phenyl)-1H-pyrazol-3-yl]-acrylic acid 在 sodium acetate 、 对甲苯磺酰肼 作用下， 以 乙醇 为溶剂， 生成 2-(3-Chlorophenyl)-3-[1-(2,5-dichlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-3-yl]propanoic acid
  参考文献：
  名称：

  SAR studies of 1,5-diarylpyrazole-based CCK1 receptor antagonists

  摘要：

  A high throughput screening campaign revealed compound 1 as a potent antagonist of the human CCK1 receptor. Here, we report the syntheses and SAR studies of 1,5-diarylpyrazole analogs with various structural modi. cations of the alkane side chain of the molecule. The difference in affinity between the two enantiomers for the CCK1 receptor and the flexible nature of the linker led to the design of constrained analogs with increased potency. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.093
• 作为产物：
  描述：

  (E)-2-(3-chlorophenyl)-3-(1-(2,5-dichlorophenyl)-5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl)acrylic acid 以 氯仿 为溶剂， 反应 12.0h， 生成 (Z)-2-(3-Chloro-phenyl)-3-[5-(3,4-dichloro-phenyl)-1-(2,5-dichloro-phenyl)-1H-pyrazol-3-yl]-acrylic acid
  参考文献：
  名称：

  SAR studies of 1,5-diarylpyrazole-based CCK1 receptor antagonists

  摘要：

  A high throughput screening campaign revealed compound 1 as a potent antagonist of the human CCK1 receptor. Here, we report the syntheses and SAR studies of 1,5-diarylpyrazole analogs with various structural modi. cations of the alkane side chain of the molecule. The difference in affinity between the two enantiomers for the CCK1 receptor and the flexible nature of the linker led to the design of constrained analogs with increased potency. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.093

文献信息

• Alpha,beta-unsaturated esters and acids by stereoselective dehydration
  申请人：Deng Xiaohu

  公开号：US20060004195A1

  公开（公告）日：2006-01-05

  There are provided by the present invention certain pyrazole based CCK-1 receptor modulators which have the general formula: wherein Ar is an aromatic or heteroaromatic group, X is a hydrocarbon linker, Y is a bond or hydrocarbon linker and R 1 , R 2 , R 3 , R 4 and R 5 are certain organic substituents, methods for making the same, and stereoselective dehydration methods for generally making α,β-unsaturated esters, acids and their derivatives.

  本发明提供了一些基于吡唑的CCK-1受体调节剂，其具有以下一般式： 其中Ar是芳香族或杂环芳基，X是碳氢链，Y是键或碳氢链，R1、R2、R3、R4和R5是某些有机取代基，以及制备这些化合物的方法，以及用于通常制备α，β-不饱和酯，酸及其衍生物的立体选择性脱水方法。
• [EN] CCK-1 RECEPTOR MODULATORS<br/>[FR] MODULATEURS DU RECEPTEUR DE CCK-1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2004007463A1

  公开（公告）日：2004-01-22

  There are provided by the present invention certain pyrazole based CCK-1 receptor modulators.

  本发明提供了一些基于吡唑的CCK-1受体调节剂。
• CCK-1 receptor modulators
  申请人：——

  公开号：US20040067983A1

  公开（公告）日：2004-04-08

  There are provided by the present invention certain pyrazole based CCK-1 receptor modulators.

  本发明提供了某些基于吡唑的CCK-1受体调节剂。
• CCK-1 RECEPTOR MODULATORS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1525190A1

  公开（公告）日：2005-04-27
• US7037931B2
  申请人：——

  公开号：US7037931B2

  公开（公告）日：2006-05-02