1-[1-(2-Bromophenyl)sulfonylpiperidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol | 1021170-83-1

• 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: 1-[1-(2-Bromophenyl)sulfonylpiperidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
• CAS: 1021170-83-1
• 化学式: C₂₂H₂₆BrClN₂O₃S
• 分子量: 513.883
• InChiKey: GEIKHQRXCHGMAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  69.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(4-chlorophenyl)-1,4'-bipiperidin-4-ol 、 2-溴苯磺酰氯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 1-[1-(2-Bromophenyl)sulfonylpiperidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
  参考文献：
  名称：

  Identification of novel series of human CCR1 antagonists

  摘要：

  A hit-to-lead optimization process was carried out on the high throughput screening hit compound 1 resulting in the identification of several potent and selective CCR1 receptor antagonists. Compound 37 shows the best overall profile with IC50 values of < 100 nM in binding and functional assays. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.09.068

文献信息

• USE OF CCR1 ANTAGONISTS AS A TREATMENT FOR TUMORS OF THE CENTRAL NERVOUS SYSTEM
  申请人：Merritt James

  公开号：US20170112831A1

  公开（公告）日：2017-04-27

  The present disclosure relates to Chemotactic Cytokine Receptor 1 (CCR1) antagonists and their use in the treatment of tumors of the central nervous system. More specifically, to the treatment of Astrocytic tumors.
• [EN] USE OF CCR1 ANTAGONISTS AS A TREATMENT FOR TUMORS OF THE CENTRAL NERVOUS SYSTEM<br/>[FR] UTILISATION D'ANTAGONISTES DE CCR1 EN TANT QUE TRAITEMENT DE TUMEURS DU SYSTÈME NERVEUX CENTRAL
  申请人：MERRITT JAMES

  公开号：WO2017070431A1

  公开（公告）日：2017-04-27

  The present disclosure relates to Chemotactic Cytokine Receptor 1 (CCRl) antagonists and their use in the treatment of tumors of the central nervous system. More specifically, to the treatment of Astrocytic tumors.
• Identification of novel series of human CCR1 antagonists
  作者：Yun Feng Xie、Ila Sircar、Kirk Lake、Mallareddy Komandla、Kathleen Ligsay、Jian Li、Kui Xu、Jason Parise、Lisa Schneider、Dingqiu Huang、Juping Liu、Naoki Sakurai、Miguel Barbosa、Rick Jack

  DOI：10.1016/j.bmcl.2007.09.068

  日期：2008.3

  A hit-to-lead optimization process was carried out on the high throughput screening hit compound 1 resulting in the identification of several potent and selective CCR1 receptor antagonists. Compound 37 shows the best overall profile with IC50 values of < 100 nM in binding and functional assays. (C) 2008 Published by Elsevier Ltd.