4-(4-chloro-2-methyl-phenyl)-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester | 849106-39-4

• 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-(4-chloro-2-methyl-phenyl)-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 4-(4-chloro-2-methylphenyl)-4-hydroxypiperidine-1-carboxylate
• CAS: 849106-39-4
• 化学式: C₁₇H₂₄ClNO₃
• 分子量: 325.835
• InChiKey: QZSADKCBIRCFSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-chloro-2-methyl-phenyl)-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 4-(4-chloro-2-methyl-phenyl)-piperidin-4-ol
  参考文献：
  名称：

  CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF

  摘要：

  揭示了新颖的化合物以及治疗与异常白细胞召集和/或激活相关的疾病的方法。该方法包括向需要的受试者施用代表的化合物的有效量： 或其生理上可接受的盐。

  公开号：

  US20160031908A1
• 作为产物：
  描述：

  5-氯-2-碘甲苯 、 N-叔丁氧羰基-4-哌啶酮 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 以68%的产率得到4-(4-chloro-2-methyl-phenyl)-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Conversion of an MMP-potent scaffold to an MMP-selective HER-2 sheddase inhibitor via scaffold hybridization and subtle permutations

  摘要：

  A series of beta-sulfonamide piperidine hydroxamates were prepared and shown to be potent inhibitors of the human epidermal growth factor receptor-2 (HER-2) sheddase with excellent selectivity against MMP-1, -2, -3, and -9. This was achieved by exploiting subtle differences within the otherwise highly conserved S-1' binding pocket of the active sites within the metalloprotease family. In addition, it was discovered that the introduction of polarity to the P-1 and P-1' groups reduced the projected human clearance. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.11.086

文献信息

• Chemokine receptor antagonists and methods of use thereof
  申请人：Luly R. Jay

  公开号：US20050070549A1

  公开（公告）日：2005-03-31

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: formula (1) or physiologically acceptable salt thereof.

  揭示了新化合物和一种治疗与异常白细胞召集和/或激活相关疾病的方法。该方法包括向需要的受试者施用由以下公式（1）表示的化合物或其生理上可接受的盐的有效量。
• CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR
  申请人：Luly Jay R.

  公开号：US20090281081A1

  公开（公告）日：2009-11-12

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: or physiologically acceptable salt thereof.

  本发明涉及新化合物以及一种治疗与异常白细胞招募和/或激活相关的疾病的方法。该方法包括向需要治疗的受体内给予一种有效量的化合物，该化合物表示为：或其生理上可接受的盐。
• Chemokine receptor antagonists and methods of use therefor
  申请人：Luly R. Jay

  公开号：US20070060592A1

  公开（公告）日：2007-03-15

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: or physiologically acceptable salt thereof.

  本发明涉及一种新型化合物和一种治疗与异常白细胞招募和/或激活相关的疾病的方法。该方法包括向需要治疗的受体内投与有效量的化合物，所述化合物的表示式为：或其生理上可接受的盐。
• US7271176B2
  申请人：——

  公开号：US7271176B2

  公开（公告）日：2007-09-18
• US7541365B2
  申请人：——

  公开号：US7541365B2

  公开（公告）日：2009-06-02