N-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-2-(trifluoromethyl)benzenesulfonamide | 1021170-59-1

• 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: N-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-2-(trifluoromethyl)benzenesulfonamide
• CAS: 1021170-59-1
• 化学式: C₂₁H₂₄ClF₃N₂O₃S
• 分子量: 476.947
• InChiKey: OQKOSQJSZJDZRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  78
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-三氟甲基苯磺酰氯 、 1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-ol 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 N-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-2-(trifluoromethyl)benzenesulfonamide
  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

• 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.