1-O-tert-butyl 3-O-methyl (3S,4R)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1,3-dicarboxylate | 362489-62-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-O-tert-butyl 3-O-methyl (3S,4R)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1,3-dicarboxylate
• CAS: 362489-62-1
• 化学式: C₃₀H₃₅N₃O₆
• 分子量: 533.624
• InChiKey: PGVVHUCZUWYJLO-AZGAKELHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-O-tert-butyl 3-O-methyl (3S,4R)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1,3-dicarboxylate 在 盐酸 作用下， 生成
  参考文献：
  名称：

  Discovery of β-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors

  摘要：

  beta-Benzamido hydroxamic acids were discovered as potent TACE inhibitors. A computer model was constructed to help understanding the binding activities and guiding SAR study. SAR optimization led to the discovery of compound 30 which met all in vitro and in vivo criteria for the program and was selected for further evaluation. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.093
• 作为产物：
  描述：

  (3S,4R)-1-tert-butyl 3-methyl 4-aminopiperidine-1,3-dicarboxylate 、 alkaline earth salt of/the/ methylsulfuric acid 生成 1-O-tert-butyl 3-O-methyl (3S,4R)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1,3-dicarboxylate
  参考文献：
  名称：

  Discovery of β-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors

  摘要：

  beta-Benzamido hydroxamic acids were discovered as potent TACE inhibitors. A computer model was constructed to help understanding the binding activities and guiding SAR study. SAR optimization led to the discovery of compound 30 which met all in vitro and in vivo criteria for the program and was selected for further evaluation. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.093

文献信息

• Triazolone and triazolethione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme
  申请人：——

  公开号：US20040116491A1

  公开（公告）日：2004-06-17

  The present application describes novel hydantoin derivatives of formula (I): 1 or pharmaceutically acceptable salt or prodrug forms thereof, wherein A, L, and R 11 are defined in the present specification, which are useful as inhibitors of matrix metalloproteinases (MMP), TNF-&agr; converting enzyme (TACE), aggrecanase, or a combination thereof.

  本申请描述了式 (I) 的新型海因衍生物： 1 或其药学上可接受的盐或原药形式，其中 A、L 和 R 11 可用作基质金属蛋白酶 (MMP)、TNF-&agr; 转换酶 (TACE)、凝集素酶或其组合的抑制剂。
• US7074810B2
  申请人：——

  公开号：US7074810B2

  公开（公告）日：2006-07-11
• Discovery of β-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors
  作者：James J.-W. Duan、Lihua Chen、Zhonghui Lu、Chu-Biao Xue、Rui-Qin Liu、Maryanne B. Covington、Mingxin Qian、Zelda R. Wasserman、Krishna Vaddi、David D. Christ、James M. Trzaskos、Robert C. Newton、Carl P. Decicco

  DOI：10.1016/j.bmcl.2007.10.093

  日期：2008.1

  beta-Benzamido hydroxamic acids were discovered as potent TACE inhibitors. A computer model was constructed to help understanding the binding activities and guiding SAR study. SAR optimization led to the discovery of compound 30 which met all in vitro and in vivo criteria for the program and was selected for further evaluation. (C) 2007 Elsevier Ltd. All rights reserved.