(S)-2-[(S)-2-(2-Amino-acetylamino)-3-cyclohexyloxycarbonyl-propionylamino]-3-methyl-butyric acid benzyl ester | 152020-31-0

• 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: (S)-2-[(S)-2-(2-Amino-acetylamino)-3-cyclohexyloxycarbonyl-propionylamino]-3-methyl-butyric acid benzyl ester
• CAS: 152020-31-0
• 化学式: C₂₄H₃₅N₃O₆
• 分子量: 461.558
• InChiKey: KTOQOEBNUUUKQV-UGKGYDQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.58
• 重原子数：
  33.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  136.82
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (S)-2-[(S)-2-(2-Amino-acetylamino)-3-cyclohexyloxycarbonyl-propionylamino]-3-methyl-butyric acid benzyl ester 在 盐酸 、 N,N'-二环己基碳二亚胺 作用下， 以 乙酸乙酯 为溶剂， 生成
  参考文献：
  名称：

  Dual-acting agents that possess free radical scavenging and antithrombotic activities: Design, synthesis, and evaluation of phenolic tetrahydro-β-carboline RGD peptide conjugates

  摘要：

  A new approach to construct a single dual-acting agent is described. Compounds 6a-c are potent free radical scavengers as demonstrated by the EC50 values in PC12 cell survival assay in term of NO, H2O2, and (OH)-O-. scavenging activity. The Ach-induced vaso-relaxation assay further confirms the potent NO scavenging activity of compounds 6a-c. In addition, 6a-c are efficacious in a rat arterial thrombosis, and are active in ADP- or PAF-induced in vitro platelet aggregation assay, suggesting that compounds 6a-c also possess anti-thrombotic activities. Since both free radical and thrombogenesis are important risk factors in myocardial ischemic/reperfusion injuries, these dual-acting agents having both free radical scavenging and antithrombolic activities may potentially be beneficial toward their treatment. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.024
• 作为产物：
  描述：

  H-Asp(OcHx)-Val-OBzl 生成 (S)-2-[(S)-2-(2-Amino-acetylamino)-3-cyclohexyloxycarbonyl-propionylamino]-3-methyl-butyric acid benzyl ester
  参考文献：
  名称：

  Dual-acting agents that possess free radical scavenging and antithrombotic activities: Design, synthesis, and evaluation of phenolic tetrahydro-β-carboline RGD peptide conjugates

  摘要：

  A new approach to construct a single dual-acting agent is described. Compounds 6a-c are potent free radical scavengers as demonstrated by the EC50 values in PC12 cell survival assay in term of NO, H2O2, and (OH)-O-. scavenging activity. The Ach-induced vaso-relaxation assay further confirms the potent NO scavenging activity of compounds 6a-c. In addition, 6a-c are efficacious in a rat arterial thrombosis, and are active in ADP- or PAF-induced in vitro platelet aggregation assay, suggesting that compounds 6a-c also possess anti-thrombotic activities. Since both free radical and thrombogenesis are important risk factors in myocardial ischemic/reperfusion injuries, these dual-acting agents having both free radical scavenging and antithrombolic activities may potentially be beneficial toward their treatment. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.024