methyl 1-acetyl-4-(4-but-2-ynyloxybenzene-sulfonyl)-2,3,4,5-tetrahydro-1H-[1,4]benzodiazepine-3-carboxylate | 287121-21-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 1-acetyl-4-(4-but-2-ynyloxybenzene-sulfonyl)-2,3,4,5-tetrahydro-1H-[1,4]benzodiazepine-3-carboxylate
• 英文别名: methyl 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate
• CAS: 287121-21-5
• 化学式: C₂₃H₂₄N₂O₆S
• 分子量: 456.519
• InChiKey: SUKVZMFHAVIHIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 1-acetyl-4-(4-but-2-ynyloxybenzene-sulfonyl)-2,3,4,5-tetrahydro-1H-[1,4]benzodiazepine-3-carboxylate 在 lithium hydroxide 、 水 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid
  参考文献：
  名称：

  Benzodiazepine inhibitors of the MMPs and TACE

  摘要：

  A series of benzodiazepine inhibitors of the MMPs and TACE has been developed. These compounds display an interesting selectivity profile and should be useful tools for exploring the biological relevance of such selectivity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00633-9
• 作为产物：
  描述：

  methyl 2-[(2-Aminobenzyl)-(4-methoxybenzenesulfonyl)amino]-3-hydroxypropionate 在 三溴化硼 、 碳酸氢钠 、 三乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 生成 methyl 1-acetyl-4-(4-but-2-ynyloxybenzene-sulfonyl)-2,3,4,5-tetrahydro-1H-[1,4]benzodiazepine-3-carboxylate
  参考文献：
  名称：

  Benzodiazepine inhibitors of the MMPs and TACE

  摘要：

  A series of benzodiazepine inhibitors of the MMPs and TACE has been developed. These compounds display an interesting selectivity profile and should be useful tools for exploring the biological relevance of such selectivity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00633-9

文献信息

• 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS
  申请人：Wyeth Holdings Corporation

  公开号：EP1147095B1

  公开（公告）日：2004-08-11
• US6544984B1
  申请人：——

  公开号：US6544984B1

  公开（公告）日：2003-04-08
• [EN] 2,3,4,5-TETRAHYDRO-1H-[1,4]BENZODIAZEPINE-3-HYDROXAMIC ACID AS MATRIX METALLOPROTEINASE INHIBITORS<br/>[FR] ACIDES 2,3,4,5-TETRAHYDRO-1H-[1,4]BENZODIAZEPINE-3-HYDROXAMIQUES UTILISES COMME INHIBITEURS DES METALLOPROTEINASES MATRICIELLES
  申请人：AMERICAN CYANAMID CO

  公开号：WO2000044730A1

  公开（公告）日：2000-08-03

  Compounds having formula (1) are useful in treating disease conditions mediated by matrix metalloproteinases and TACE, such as tumor growth, osteoarthritis, rheumatoid arthritis and degenerative cartilage loss.
• Benzodiazepine inhibitors of the MMPs and TACE
  作者：Frances C Nelson、Efren Delos Santos、Jeremy I Levin、James M Chen、Jerauld S Skotnicki、John F DiJoseph、Michele A Sharr、Amy Sung、Loran M Killar、Rebecca Cowling、Guixian Jin、Catherine E Roth、J.Donald Albright

  DOI：10.1016/s0960-894x(02)00633-9

  日期：2002.10

  A series of benzodiazepine inhibitors of the MMPs and TACE has been developed. These compounds display an interesting selectivity profile and should be useful tools for exploring the biological relevance of such selectivity. (C) 2002 Elsevier Science Ltd. All rights reserved.