(2S)-2-[[4-[(2-chloro-6-methylphenyl)carbamoylamino]naphthalene-1-carbonyl]amino]-2-cyclohexylacetic acid | 1048703-59-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (2S)-2-[[4-[(2-chloro-6-methylphenyl)carbamoylamino]naphthalene-1-carbonyl]amino]-2-cyclohexylacetic acid
• CAS: 1048703-59-8
• 化学式: C₂₇H₂₈ClN₃O₄
• 分子量: 493.99
• InChiKey: UMVFGBGHSFMMIG-DEOSSOPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  108
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  FMOC-(R)-2-(2-噻吩基)-甘氨酸 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 (2S)-2-[[4-[(2-chloro-6-methylphenyl)carbamoylamino]naphthalene-1-carbonyl]amino]-2-cyclohexylacetic acid
  参考文献：
  名称：

  Amino acid anthranilamide derivatives as a new class of glycogen phosphorylase inhibitors

  摘要：

  A series of amino acid anthranilamide derivatives identified from a high-throughput screening campaign as novel, potent, and glucose-sensitive inhibitors of human liver glycogen phosphorylase a are described. A solid-phase synthesis using Wang resin was also developed which provided efficient access to a variety of analogues, and resulted in the identification of key structure-activity relationships, and the discovery of a potent exemplar (IC(50) = 80 nM). The SAR scope, synthetic strategy, and in vitro results for this series are presented herein. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.102