SID 4649575 | 1014405-03-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: SID 4649575
• 英文别名: 2-(3,4-Dihydroquinolin-1(2H)-yl)-2-oxoethyl 2-((tert-butoxycarbonyl)-L-tryptophyl)hydrazine-1-carboxylate；tert-butyl N-[(2S)-1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]carbonylhydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
• CAS: 1014405-03-8
• 化学式: C₂₈H₃₃N₅O₆
• 分子量: 535.6
• InChiKey: MITOFRSPGLYHSJ-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  142
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  Boc(L)-色氨酰肼 、 2-溴-1-(3,4-二氢喹啉-1(2H)-基)乙酮 、 二氧化碳 在 四丁基碘化铵 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 SID 4649575
  参考文献：
  名称：

  Design, synthesis, and evaluation of inhibitors of cathepsin L: Exploiting a unique thiocarbazate chemotype

  摘要：

  Recently, we identified a thiocarbazate that exhibits potent inhibitory activity against human cathepsin L. Since this structure represents a novel chemotype with potential for activity against the entire cysteine protease family, we designed, synthesized, and assayed a series of analogs to probe the mechanism of action, as well as the structural requirements for cathepsin L activity. Molecular docking studies using coordinates of a papain-inhibitor complex as a model for cathepsin L provided useful insights. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.065

文献信息

• Compositions and Methods for Inhibition of Cathepsins
  申请人：OXIGENE, INC.

  公开号：US20130296605A1

  公开（公告）日：2013-11-07

  This invention is directed to compound of Formula I and methods of using these compounds in the treatment of conditions in which modulation of a cathepsin, particularly cathepsin K or cathepsin L, will be therapeutically useful.

  本发明涉及公式I的化合物及其在治疗调节蛋白酶的情况下，特别是治疗有益的蛋白酶K或蛋白酶L的方法。
• Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S
  申请人：Diamond Scott L.

  公开号：US20110207726A1

  公开（公告）日：2011-08-25

  The present invention is directed to novel protease inhibitors that are specific for cathepsin L, cathepsin B, and cathepsin S. Accordingly, the present invention encompasses compositions and methods for treating and preventing diseases and disorders associated with cathepsin L, cathepsin B, or cathepsin S function or activity.
• COMPOSITIONS AND METHODS FOR INHIBITION OF CATHEPSINS
  申请人：Chaplin David J.

  公开号：US20160368869A1

  公开（公告）日：2016-12-22

  This invention is directed to compound of Formula I and methods of using these compounds in the treatment of conditions in which modulation of a cathepsin, particularly cathepsin K or cathepsin L, will be therapeutically useful.
• US8877967B2
  申请人：——

  公开号：US8877967B2

  公开（公告）日：2014-11-04
• US9458103B2
  申请人：——

  公开号：US9458103B2

  公开（公告）日：2016-10-04