{2-[((S)-2-Amino-4-methyl-pentanoyl)-(4-chloro-benzyl)-amino]-ethyl}-carbamic acid tert-butyl ester | 335059-97-7

• 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: {2-[((S)-2-Amino-4-methyl-pentanoyl)-(4-chloro-benzyl)-amino]-ethyl}-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[2-[[(2S)-2-amino-4-methylpentanoyl]-[(4-chlorophenyl)methyl]amino]ethyl]carbamate
• CAS: 335059-97-7
• 化学式: C₂₀H₃₂ClN₃O₃
• 分子量: 397.945
• InChiKey: HMHKMVLEEHQCTQ-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  84.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  三光气 、 、 {2-[((S)-2-Amino-4-methyl-pentanoyl)-(4-chloro-benzyl)-amino]-ethyl}-carbamic acid tert-butyl ester 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Arylalkylidene rhodanine with bulky and hydrophobic functional group as selective HCV NS3 protease inhibitor

  摘要：

  Arylalkylidene rhodanines 2(a-d) inhibit HCV NS3 protease at moderate concentrations. They are better inhibitors of other serine proteases such as chymotrypsin and plasmin. However, the selectivity of arylmethylidene rhodanines (8a, 9a) with bulkier and more hydrophobic functional groups increases by 13- and 25-fold towards HCV NS3 protease respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00610-7
• 作为产物：
  描述：

  {(S)-1-[(2-tert-Butoxycarbonylamino-ethyl)-(4-chloro-benzyl)-carbamoyl]-3-methyl-butyl}-carbamic acid 9H-fluoren-9-ylmethyl ester 在 三乙胺 作用下， 生成 {2-[((S)-2-Amino-4-methyl-pentanoyl)-(4-chloro-benzyl)-amino]-ethyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Arylalkylidene rhodanine with bulky and hydrophobic functional group as selective HCV NS3 protease inhibitor

  摘要：

  Arylalkylidene rhodanines 2(a-d) inhibit HCV NS3 protease at moderate concentrations. They are better inhibitors of other serine proteases such as chymotrypsin and plasmin. However, the selectivity of arylmethylidene rhodanines (8a, 9a) with bulkier and more hydrophobic functional groups increases by 13- and 25-fold towards HCV NS3 protease respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00610-7

文献信息

• Arylalkylidene rhodanine with bulky and hydrophobic functional group as selective HCV NS3 protease inhibitor
  作者：Wan Theng Sing、Cheng Leng Lee、Su Ling Yeo、Siew Pheng Lim、Mui Mui Sim

  DOI：10.1016/s0960-894x(00)00610-7

  日期：2001.1

  Arylalkylidene rhodanines 2(a-d) inhibit HCV NS3 protease at moderate concentrations. They are better inhibitors of other serine proteases such as chymotrypsin and plasmin. However, the selectivity of arylmethylidene rhodanines (8a, 9a) with bulkier and more hydrophobic functional groups increases by 13- and 25-fold towards HCV NS3 protease respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.