2-[3-[[4-(3,4-Dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-2-phenylacetic acid | 868056-91-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[3-[[4-(3,4-Dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-2-phenylacetic acid
• CAS: 868056-91-1
• 化学式: C₂₅H₃₀Cl₂N₂O₃
• 分子量: 477.431
• InChiKey: FLDDBSYUKQDTDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 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：

  哌啶-3-甲醛 、 4(3,4-二氯苯氧基)哌啶 、 乙醛酸 、 苯硼酸 在 sodium triacetoxy borohydride 、 溶剂黄146 、 三氟乙酸 作用下， 以 二氯甲烷 、 乙醇 为溶剂， 反应 34.0h， 生成 2-[3-[[4-(3,4-Dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-2-phenylacetic 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

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

  公开号：US20050176708A1

  公开（公告）日：2005-08-11

  The present invention provides a compound of formula (I), wherein: Z is (A:) OR (B) and wherein the remaining variables are defined herein; to a process for preparing such a compound; and to the use of such a compound in the treatment of achemokine (such as CCR3) or H1 mediated disease state,

  本发明提供了一种化合物，其分子式为(I)，其中：Z为(A:)或(B)，其余变量在此定义；提供了制备此类化合物的方法；以及将此类化合物用于治疗趋化因子（如CCR3）或H1介导的疾病状态的用途。
• Piperidine Derivatives Useful as Modulators of Chemokine Receptor Activity
  申请人：Luckhurst Christopher

  公开号：US20090069325A1

  公开（公告）日：2009-03-12

  The present invention relates to the compounds of formula (I): in which: and the remaining variables are defined herein. The present invention also relates to a process for preparing such compounds and use of such compounds in the treatment of a chemokine (such as CCR3) or H1 mediated disease state.

  本发明涉及化合物的公式（I）：其中：其余变量在此定义。本发明还涉及制备这种化合物的过程以及在治疗趋化因子（如CCR3）或H1介导的疾病状态中使用这种化合物的用途。
• 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：EP1487793A1

  公开（公告）日：2004-12-22
• 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.