Cbz-Val-Leu-Glu(thiazol-2-yl)-thiazol-2-yl | 1163302-43-9

• 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: Cbz-Val-Leu-Glu(thiazol-2-yl)-thiazol-2-yl
• 英文别名: benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1,5-dioxo-1,5-bis(1,3-thiazol-2-yl)pentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
• CAS: 1163302-43-9
• 化学式: C₃₀H₃₇N₅O₆S₂
• 分子量: 627.786
• InChiKey: VGITXZVHGCSOCS-FIXSFTCYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  43
• 可旋转键数：
  17
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  213
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  噻唑 、 benzyl ((7S,10S,13S)-10-isobutyl-7-(methoxy(methyl)carbamoyl)-3,14-dimethyl-4,9,12-trioxo-2-oxa-3,8,11-triazapentadecan-13-yl)carbamate 在 正丁基锂 作用下， 反应 2.5h， 生成 Cbz-Val-Leu-Glu(thiazol-2-yl)-thiazol-2-yl
  参考文献：
  名称：

  New developments for the design, synthesis and biological evaluation of potent SARS-CoV 3CLpro inhibitors

  摘要：

  A series of trifluoromethyl, benzothiazolyl or thiazolyl ketone-containing peptidic compounds as SARS-CoV 3CL protease inhibitors were developed and their potency was evaluated by in vitro protease inhibitory assays. Three candidates had encouraging results for the development of new anti-SARS compounds. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.118

文献信息

• New developments for the design, synthesis and biological evaluation of potent SARS-CoV 3CLpro inhibitors
  作者：Thomas Regnier、Diganta Sarma、Koushi Hidaka、Usman Bacha、Ernesto Freire、Yoshio Hayashi、Yoshiaki Kiso

  DOI：10.1016/j.bmcl.2009.03.118

  日期：2009.5

  A series of trifluoromethyl, benzothiazolyl or thiazolyl ketone-containing peptidic compounds as SARS-CoV 3CL protease inhibitors were developed and their potency was evaluated by in vitro protease inhibitory assays. Three candidates had encouraging results for the development of new anti-SARS compounds. (C) 2009 Elsevier Ltd. All rights reserved.