4-[[4-[[4-(3,4-dichlorophenoxy)-1-piperidinyl]methyl]-1-piperidinyl]methyl]benzoic acid | 676518-35-7

• 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: 4-[[4-[[4-(3,4-dichlorophenoxy)-1-piperidinyl]methyl]-1-piperidinyl]methyl]benzoic acid
• 英文别名: 4-[[4-[[4-(3,4-Dichlorophenoxy)-1-piperidinyl]methyl]-1-piperidinyl]methyl]benzoic acid；4-[[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]methyl]benzoic acid
• CAS: 676518-35-7
• 化学式: C₂₅H₃₀Cl₂N₂O₃
• 分子量: 477.431
• InChiKey: REJVZJBLJWRHQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  53
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(3,4-二氯苯氧基)-1-(4-哌啶基甲基)-哌啶 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium triacetoxy borohydride 、 溶剂黄146 、 水 、 lithium hydroxide 作用下， 以 二氯甲烷 、 四氢呋喃 、 甲醇 为溶剂， 反应 34.0h， 生成 4-[[4-[[4-(3,4-dichlorophenoxy)-1-piperidinyl]methyl]-1-piperidinyl]methyl]benzoic acid
  参考文献：
  名称：

  Scaffold-hopping with zwitterionic CCR3 antagonists: Identification and optimisation of a series with good potency and pharmacokinetics leading to the discovery of AZ12436092

  摘要：

  The discovery and optimisation of a series of zwitterionic CCR3 antagonists is described. Optimisation of the structure led to AZ12436092, a compound with excellent selectivity over activity at hERG and outstanding pharmacokinetics in preclinical species. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.103

文献信息

• Intermediates for the production of pharmaceutically active compounds
  申请人：AstraZeneca AB

  公开号：EP1816123A1

  公开（公告）日：2007-08-08

  The present invention provides a compound of a formula (A), (B) or (C): which is useful for making a compound of formula (I): wherein Z is CO2R3. The compounds of formula (I) are useful in the treatment of a chemokine (such as CCR3) or H1 mediated disease state.

  本发明提供了一种式 (A)、(B) 或 (C) 的化合物： 可用于制造式（I）化合物： 其中 Z 为 CO2R3。式（I）化合物可用于治疗趋化因子（如 CCR3）或 H1 介导的疾病状态。
• Inhibition of chemokine CCL7 or receptor CCR3 of same for the treatment and diagnosis of prostate cancer
  申请人：Universite Paul Sabatier (Toulouse III)

  公开号：US10401365B2

  公开（公告）日：2019-09-03

  The invention concerns an inhibitor of the expression of chemokine CCL7 or an inhibitor of the expression of the receptor CCR3 or an inhibitor of CCL7/CCR3 interaction for the use of same to prevent or treat the extension of prostate cancer outside the prostatic capsule in a subject. The invention also concerns a method for determining the degree of aggressiveness of a prostate cancer tumor in a subject suffering from prostate cancer, comprising a step of determining the concentration or level of expression of the receptor CCR3 in a sample of prostate tumor cells obtained from said subject.

  本发明涉及一种趋化因子CCL7表达抑制剂或受体CCR3表达抑制剂或CCL7/CCR3相互作用抑制剂，用于预防或治疗受试者的前列腺癌向前列腺囊外延伸。本发明还涉及一种确定前列腺癌患者前列腺癌肿瘤侵袭程度的方法，该方法包括一个步骤，即确定从所述患者处获得的前列腺肿瘤细胞样本中受体CCR3的浓度或表达水平。
• PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASE STATES
  申请人：AstraZeneca AB

  公开号：EP1546130B1

  公开（公告）日：2007-08-01
• Inhibition of Chemokine CCL7 or Receptor CCR3 of Same for the Treatment and Diagnosis of Prostate Cancer
  申请人：Universite Paul Sabatier (Toulouse III)

  公开号：US20170131282A1

  公开（公告）日：2017-05-11

  The invention concerns an inhibitor of the expression of chemokine CCL7 or an inhibitor of the expression of the receptor CCR3 or an inhibitor of CCL7/CCR3 interaction for the use of same to prevent or treat the extension of prostate cancer outside the prostatic capsule in a subject. The invention also concerns a method for determining the degree of aggressiveness of a prostate cancer tumour in a subject suffering from prostate cancer, comprising a step of determining the concentration or level of expression of the receptor CCR3 in a sample of prostate tumour cells obtained from said subject.
• Scaffold-hopping with zwitterionic CCR3 antagonists: Identification and optimisation of a series with good potency and pharmacokinetics leading to the discovery of AZ12436092
  作者：Ash Bahl、Patrick Barton、Keith Bowers、Moya V. Caffrey、Rebecca Denton、Peter Gilmour、Shaun Hawley、Tero Linannen、Christopher A. Luckhurst、Tobias Mochel、Matthew W.D. Perry、Robert J. Riley、Emma Roe、Brian Springthorpe、Linda Stein、Peter Webborn

  DOI：10.1016/j.bmcl.2012.08.103

  日期：2012.11

  The discovery and optimisation of a series of zwitterionic CCR3 antagonists is described. Optimisation of the structure led to AZ12436092, a compound with excellent selectivity over activity at hERG and outstanding pharmacokinetics in preclinical species. (C) 2012 Elsevier Ltd. All rights reserved.