2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-(tert-butyl-dimethyl-silanyloxy)-benzoic acid methyl ester | 206547-19-5

• 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: 2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-(tert-butyl-dimethyl-silanyloxy)-benzoic acid methyl ester
• 英文别名: Methyl 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-[tert-butyl(dimethyl)silyl]oxybenzoate
• CAS: 206547-19-5
• 化学式: C₂₈H₃₅NO₆SSi
• 分子量: 541.74
• InChiKey: KEWRSGMTWRDBRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.26
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  90.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-(tert-butyl-dimethyl-silanyloxy)-benzoic acid methyl ester 在 四丁基氟化铵 作用下， 生成 2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-hydroxy-benzoic acid methyl ester
  参考文献：
  名称：

  The discovery of anthranilic acid-based MMP inhibitors. Part 1: SAR of the 3-position

  摘要：

  A novel series of anthranilic acid-based inhibitors of MMP-1, MMP-9, and MMP-13 was prepared and evaluated both in vitro and in vivo. The most potent compound, 6e, has in vivo activity in a rat sponge-wrapped cartilage model. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00642-9
• 作为产物：
  描述：

  2-氨基-3-羟基苯甲酸甲酯 在 咪唑 、 TEA 、 sodium hydride 作用下， 生成 2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-(tert-butyl-dimethyl-silanyloxy)-benzoic acid methyl ester
  参考文献：
  名称：

  The discovery of anthranilic acid-based MMP inhibitors. Part 1: SAR of the 3-position

  摘要：

  A novel series of anthranilic acid-based inhibitors of MMP-1, MMP-9, and MMP-13 was prepared and evaluated both in vitro and in vivo. The most potent compound, 6e, has in vivo activity in a rat sponge-wrapped cartilage model. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00642-9

文献信息

• THE PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS
  申请人：American Cyanamid Company

  公开号：EP0938471B1

  公开（公告）日：2001-12-12
• The discovery of anthranilic acid-based MMP inhibitors. Part 1: SAR of the 3-position
  作者：Jeremy I Levin、Mila T Du、John F DiJoseph、Loran M Killar、Amy Sung、Thomas Walter、Michele A Sharr、Catherine E Roth、Franklin J Moy、Robert Powers、Guixian Jin、Rebecca Cowling、Jerauld S Skotnicki

  DOI：10.1016/s0960-894x(00)00642-9

  日期：2001.1

  A novel series of anthranilic acid-based inhibitors of MMP-1, MMP-9, and MMP-13 was prepared and evaluated both in vitro and in vivo. The most potent compound, 6e, has in vivo activity in a rat sponge-wrapped cartilage model. (C) 2001 Elsevier Science Ltd. All rights reserved.