N-Hydroxy-1-(2-methoxyethyl)-4-[[4-[4-[(phenylamino)carbonyl]-1-piperidinyl]phenyl]-sulfonyl]-4-piperidinecarboxamide Monohydrochloride | 308824-08-0

• 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-Hydroxy-1-(2-methoxyethyl)-4-[[4-[4-[(phenylamino)carbonyl]-1-piperidinyl]phenyl]-sulfonyl]-4-piperidinecarboxamide Monohydrochloride
• 英文别名: N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
• CAS: 308824-08-0
• 化学式: C₂₇H₃₆N₄O₆S*ClH
• 分子量: 581.133
• InChiKey: WGADRYGRCSDJIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  137
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 生成 N-Hydroxy-1-(2-methoxyethyl)-4-[[4-[4-[(phenylamino)carbonyl]-1-piperidinyl]phenyl]-sulfonyl]-4-piperidinecarboxamide Monohydrochloride
  参考文献：
  名称：

  MMP-13 selective isonipecotamide α-sulfone hydroxamates

  摘要：

  A series of N-aryl isonipecotamide alpha-sulfone hydroxamate derivatives has been prepared utilizing a combination of solution-phase and resin-bound library technologies to afford compounds that are potent and highly selective for MMP-13. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.111

文献信息

• Aromatic sulfone hydroxamic acid metalloprotease inhibitor
  申请人：——

  公开号：US20040235818A1

  公开（公告）日：2004-11-25

  A treatment process is disclosed that comprises administering an effective amount of an aromatic sulfone hydroxamic acid that exhibits excellent inhibitory activity of one or more matrix metalloprotease (MMP) enzymes, such as MMP-2, MMP-9 and MMP-13, while exhibiting substantially less inhibition at least of MMP-1 to a host having a condition associated with pathological matrix metalloprotease activity. Also disclosed are metalloprotease inhibitor compounds having those selective activities, processes for manufacture of such compounds and pharmaceutical compositions using an inhibitor. A contemplated compound corresponds in structure to formula B, below, 1

  本发明揭示了一种治疗过程，其中包括向患有与病理基质金属蛋白酶活性相关的病情的宿主施用一种有效量的芳香磺酰羟肟酸，该肟酸表现出对一种或多种基质金属蛋白酶（MMP）酶的出色抑制活性，例如MMP-2、MMP-9和MMP-13，同时对至少MMP-1的抑制作用明显较少。还揭示了具有这些选择性活性的金属蛋白酶抑制剂化合物，制造这种化合物的过程以及使用抑制剂的制药组合物。考虑的化合物与下面的B式结构相对应，1。
• US6750228B1
  申请人：——

  公开号：US6750228B1

  公开（公告）日：2004-06-15
• MMP-13 selective isonipecotamide α-sulfone hydroxamates
  作者：Stephen A. Kolodziej、Susan L. Hockerman、Gary A. DeCrescenzo、Joseph J. McDonald、Debbie A. Mischke、Grace E. Munie、Theresa R. Fletcher、Nathan Stehle、Craig Swearingen、Daniel P. Becker

  DOI：10.1016/j.bmcl.2010.04.111

  日期：2010.6

  A series of N-aryl isonipecotamide alpha-sulfone hydroxamate derivatives has been prepared utilizing a combination of solution-phase and resin-bound library technologies to afford compounds that are potent and highly selective for MMP-13. (C) 2010 Elsevier Ltd. All rights reserved.