4-(3-chloro-4-fluorophenyl)piperidin-4-ol | 863111-08-4

• 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-(3-chloro-4-fluorophenyl)piperidin-4-ol
• CAS: 863111-08-4
• 化学式: C₁₁H₁₃ClFNO
• 分子量: 229.682
• InChiKey: OTIAGOYAMPCDAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(3-chloro-4-fluorophenyl)piperidin-4-ol 、 N-乙氧羰基-4-哌啶酮 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 生成
  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

• Indazole compound and pharmaceutical use thereof
  申请人：Takemiya Akihiro

  公开号：US20070173537A1

  公开（公告）日：2007-07-26

  The present invention can provide a cancer treatment drug containing, as an active ingredient, a substance selected from the group consisting of an indazole compound of the following formula (I), a pharmaceutically acceptable salt, a hydrate, a water adduct and a solvate:

  本发明可以提供一种癌症治疗药物，其包含以下公式（I）中的吲唑化合物、药用可接受盐、水合物、水加合物和溶剂化物等物质中所选的一种作为活性成分：
• INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1714961B1

  公开（公告）日：2015-12-09
• US7994196B2
  申请人：——

  公开号：US7994196B2

  公开（公告）日：2011-08-09
• 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.