4-(4-Chlorophenyl)-1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)piperidin-4-ol | 1021170-85-3

• 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: 4-(4-Chlorophenyl)-1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)piperidin-4-ol
• CAS: 1021170-85-3
• 化学式: C₂₀H₂₅ClN₂O₃S₂
• 分子量: 441.015
• InChiKey: ZZXWBPCXSVEBFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  97.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-噻吩磺酰氯 、 4-(4-chlorophenyl)-1,4'-bipiperidin-4-ol 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 4-(4-Chlorophenyl)-1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)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

• 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.