N-{(R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzenesulfonyl)-amino]-2-hydroxycarbamoyl-ethyl}-2-pyrrol-1-yl-benzamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: N-{(R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzenesulfonyl)-amino]-2-hydroxycarbamoyl-ethyl}-2-pyrrol-1-yl-benzamide
• 英文别名: N-{2-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benzenesulfonyl)-amino]-2-hydroxycarbamoyl-ethyl}-2-pyrrol-1-yl-benzamide；N-[(2R)-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-3-(hydroxyamino)-3-oxopropyl]-2-pyrrol-1-ylbenzamide
• 化学式: C₂₉H₂₈N₄O₈S
• 分子量: 592.629
• InChiKey: MSVYOHJBZPCAPG-RUZDIDTESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  42
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  157
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  对甲氧基苯磺酰氯 在 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 N-{(R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzenesulfonyl)-amino]-2-hydroxycarbamoyl-ethyl}-2-pyrrol-1-yl-benzamide
  参考文献：
  名称：

  Novel Inhibitors of Procollagen C-Terminal Proteinase. Part 1: Diamino Acid Hydroxamates

  摘要：

  The parallel synthesis of novel inhibitors of procollagen C-terminal proteinase is described. The synthetic strategy allowed for the facile synthesis of a large number of side-chain diversified diamino acid hydroxamates, of which the D-diaminopropionic acid derivatives were shown to be single digit nanomolar PCP inhibitors. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00404-9

文献信息

• Novel Inhibitors of Procollagen C-Terminal Proteinase. Part 1: Diamino Acid Hydroxamates
  作者：N.G.J. Delaet、L.A. Robinson、D.M. Wilson、R.W. Sullivan、E.K. Bradley、S.M. Dankwardt、R.L. Martin、H.E. Van Wart、K.A.M. Walker

  DOI：10.1016/s0960-894x(03)00404-9

  日期：2003.7

  The parallel synthesis of novel inhibitors of procollagen C-terminal proteinase is described. The synthetic strategy allowed for the facile synthesis of a large number of side-chain diversified diamino acid hydroxamates, of which the D-diaminopropionic acid derivatives were shown to be single digit nanomolar PCP inhibitors. (C) 2003 Elsevier Science Ltd. All rights reserved.