4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-N-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide | 485391-79-5

• 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: 4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-N-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
• CAS: 485391-79-5
• 化学式: C₂₅H₃₁Cl₂N₃O₄S
• 分子量: 540.511
• InChiKey: LPHIWCBAJGQIIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  78.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  AZ10565259 、 三甲基硅烷化重氮甲烷 以 甲醇 、 二氯甲烷 为溶剂， 反应 12.0h， 生成 4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-N-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
  参考文献：
  名称：

  The discovery of CCR3/H1 dual antagonists with reduced hERG risk

  摘要：

  A series of dual CCR3/H-1 antagonists based on a bispiperidine scaffold were discovered. Introduction of an acidic group overcame hERG liability. Bioavailability was optimised by modulation of physico-chemical properties and physical form to deliver a compound suitable for clinical evaluation. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.124

文献信息

• Piperidine derivatives useful as modulators of chemokine receptor activity
  申请人：——

  公开号：US20040235894A1

  公开（公告）日：2004-11-25

  The invention provides a compound of formula (I), wherein: T is C(O) or S(O) 2 ; W is C(O) or S(O) 2 ; X is CH 2 , O or NH; Y is CR 5 or N; R 1 is optionally substituted aryl or optionally substituted heterocyclyl; R 2 is hydrogen or C 1-6 alkyl; R 3 is hydrogen or optionally substituted C 1-6 alkyl; and R 4 is alkyl, optionally substituted aryl, optionally substituted aralkyl or optionally substituted heterocyclyl; that are modulators of chemokine (especially CCR3) activity and are especially useful for treating asthma and/or rhinitis. 1

  该发明提供了一个化合物的公式（I），其中：T为C（O）或S（O）2；W为C（O）或S（O）2；X为CH2，O或NH；Y为CR5或N；R1为可选择替代芳基或可选择替代杂环基；R2为氢或C1-6烷基；R3为氢或可选择替代C1-6烷基；R4为烷基，可选择替代芳基，可选择替代芳基烷基或可选择替代杂环基；这些化合物是趋化因子（尤其是CCR3）活性的调节剂，特别适用于治疗哮喘和/或鼻炎。
• INTERMEDIATES FOR THE PREPARATION OF PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY
  申请人：AstraZeneca AB

  公开号：EP1604982A1

  公开（公告）日：2005-12-14

  The invention provides a compound of formula (X) or (XVIII): wherein: R1 is optionally substituted aryl or optionally substituted heterocyclyl; and R2 is hydrogen or C1-6 alkyl; said compounds can be used for preparing modulators of chemokine (especially CCR3) activity.

  本发明提供了一种式 (X) 或 (XVIII) 的化合物： 其中R1是任选取代的芳基或任选取代的杂环基；R2是氢或C1-6烷基；所述化合物可用于制备趋化因子（尤其是CCR3）活性调节剂。
• 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 USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY
  申请人：AstraZeneca AB

  公开号：EP1404667B1

  公开（公告）日：2006-03-08
• 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.