4-(((4-Chlorophenethyl)(1-(2,6-difluorobenzoyl)piperidin-4-yl)amino)methyl)-1,5-dimethyl-2-(pyridin-2-yl)-1,2-dihydropyrazol-3-one | 948853-66-5

• 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-Chlorophenethyl)(1-(2,6-difluorobenzoyl)piperidin-4-yl)amino)methyl)-1,5-dimethyl-2-(pyridin-2-yl)-1,2-dihydropyrazol-3-one
• 英文别名: 4-[[2-(4-chlorophenyl)ethyl-[1-(2,6-difluorobenzoyl)piperidin-4-yl]amino]methyl]-1,5-dimethyl-2-pyridin-2-ylpyrazol-3-one
• CAS: 948853-66-5
• 化学式: C₃₁H₃₂ClF₂N₅O₂
• 分子量: 580.077
• InChiKey: LGAWSQIHIHBBPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  60
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-哌啶酮 在 molecular sieve 、 三乙酰氧基硼氢化钠 、 氯化铵 、 溶剂黄146 、 三乙胺 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 、 异丙醇 为溶剂， 生成 4-(((4-Chlorophenethyl)(1-(2,6-difluorobenzoyl)piperidin-4-yl)amino)methyl)-1,5-dimethyl-2-(pyridin-2-yl)-1,2-dihydropyrazol-3-one
  参考文献：
  名称：

  Pyrazolone methylamino piperidine derivatives as novel CCR3 antagonists

  摘要：

  The discovery and optimization of a novel class of potent CCR3 antagonists is described. Details of synthesis and SAR are given together with some ADME properties of selected compounds. An optimal balance between activities, physicochemical properties, and in vitro metabolic stability was reached by the proper choice of substituents. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.035

文献信息

• 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。
• 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.
• Pyrazolone methylamino piperidine derivatives as novel CCR3 antagonists
  作者：Cécile Pégurier、Philippe Collart、Pierre Danhaive、Sabine Defays、Michel Gillard、Frédéric Gilson、Thierry Kogej、Patrick Pasau、Nathalie Van Houtvin、Marc Van Thuyne、BerendJan van Keulen

  DOI：10.1016/j.bmcl.2007.05.035

  日期：2007.8

  The discovery and optimization of a novel class of potent CCR3 antagonists is described. Details of synthesis and SAR are given together with some ADME properties of selected compounds. An optimal balance between activities, physicochemical properties, and in vitro metabolic stability was reached by the proper choice of substituents. (c) 2007 Elsevier Ltd. All rights reserved.