(S)-3-(N-(4-(4-chlorophenoxy)phenyl)methan-2-ylsulfonamido)-2-(cis-2,6-dimethylmorpholino)-N-hydroxypropanamide | 1017799-96-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-3-(N-(4-(4-chlorophenoxy)phenyl)methan-2-ylsulfonamido)-2-(cis-2,6-dimethylmorpholino)-N-hydroxypropanamide
• 英文别名: (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxypropanamide
• CAS: 1017799-96-0
• 化学式: C₂₂H₂₈ClN₃O₆S
• 分子量: 498.0
• InChiKey: USBYYTHGWSZFCH-MRUHUIDDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 盐酸羟胺 、 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 (S)-3-(N-(4-(4-chlorophenoxy)phenyl)methan-2-ylsulfonamido)-2-(cis-2,6-dimethylmorpholino)-N-hydroxypropanamide
  参考文献：
  名称：

  β-N-Biaryl ether sulfonamide hydroxamates as potent gelatinase inhibitors: Part 2. Optimization of α-amino substituents

  摘要：

  The introduction and the optimization of an alpha-amino substituent based on a series of alpha-hydroxy-beta-N-biaryl ether sulfonamide hydroxamates is described. The modification leads to a new series of MMP-2/MMP-9 inhibitors with enhanced inhibitory activities and improved ADME properties. An efficacy study on reducing the ischemia-induced brain edema in the rat transient middle cerebral artery occlusion (tMCAo) model is also demonstrated. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.129

文献信息

• MATRIX METALLOPROTEASE INHIBITORS
  申请人：YANG Shyh-Ming

  公开号：US20080085893A1

  公开（公告）日：2008-04-10

  The present invention relates to compounds of Formula I, wherein R1, R2, R3, R4, R5, R6, and R7 are defined in the specification. In addition, the present invention relates to methods treating disorders related to matrix metalloproteases. More particularly, the compounds of the present invention are useful for treating stroke.

  本发明涉及式I的化合物，其中R1、R2、R3、R4、R5、R6和R7在规范中定义。此外，本发明涉及治疗与基质金属蛋白酶相关疾病的方法。更具体地，本发明的化合物对治疗中风具有用处。
• [EN] MATRIX METALLOPROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE MÉTALLOPROTÉASES MATRICIELLES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2008045671A1

  公开（公告）日：2008-04-17

  [EN] The present invention relates to compounds of Formula (I) wherein R1, R2, R3, R4, R5, R6, and R7 are defined in the spoecification. In addition, the present invention relates to methods treating disorders related to matrix metalloproteases. More particularly, the compounds of the present invention are useful for treating stroke.
  [FR] L'objet de la présente invention concerne des composés selon la formule (I) où R1, R2, R3, R4, R5, R6, et R7 sont définis dans la spécification. L'invention concerne également des méthodes de traitement des désordres liés aux métalloprotéases matricielles. Les composés de la présente invention sont plus particulièrement utiles pour traiter les accidents cérébraux vasculaires.
• β-N-Biaryl ether sulfonamide hydroxamates as potent gelatinase inhibitors: Part 2. Optimization of α-amino substituents
  作者：Shyh-Ming Yang、Robert H. Scannevin、Bingbing Wang、Sharon L. Burke、Zhihong Huang、Prabha Karnachi、Lawrence J. Wilson、Kenneth J. Rhodes、Bharat Lagu、William V. Murray

  DOI：10.1016/j.bmcl.2007.11.129

  日期：2008.2

  The introduction and the optimization of an alpha-amino substituent based on a series of alpha-hydroxy-beta-N-biaryl ether sulfonamide hydroxamates is described. The modification leads to a new series of MMP-2/MMP-9 inhibitors with enhanced inhibitory activities and improved ADME properties. An efficacy study on reducing the ischemia-induced brain edema in the rat transient middle cerebral artery occlusion (tMCAo) model is also demonstrated. (C) 2007 Elsevier Ltd. All rights reserved.