(3R,4R,5S)-4-Acetylamino-5-formimidoylamino-3-propoxy-cyclohex-1-enecarboxylic acid

• 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: (3R,4R,5S)-4-Acetylamino-5-formimidoylamino-3-propoxy-cyclohex-1-enecarboxylic acid
• 英文别名: (3R,4R,5S)-4-acetamido-5-(aminomethylideneamino)-3-propoxycyclohexene-1-carboxylic acid
• 化学式: C₁₃H₂₁N₃O₄
• 分子量: 283.327
• InChiKey: UHUIIWFIVBGZEX-QJPTWQEYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  114
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (3R,4R,5S)-4-Acetylamino-5-azido-3-propoxy-cyclohex-1-enecarboxylic acid methyl ester 在 氢氧化钾 、 sodium hydroxide 、 水 、 三苯基膦 作用下， 生成 (3R,4R,5S)-4-Acetylamino-5-formimidoylamino-3-propoxy-cyclohex-1-enecarboxylic acid
  参考文献：
  名称：

  Structure-activity relationships of carbocyclic influenza neuraminidase inhibitors

  摘要：

  The structure-activity relationships (SAR) for a new class of potent inhibitors (1) of influenza neuraminidase are described. Systematic modifications of substituents at the C-3, C-4, and C-5 positions of the carbocyclic ring were performed to establish fundamental SAR to assist in the design of potent inhibitors with activity against both of influenza A and B viruses. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00333-8

文献信息

• Structure-activity relationships of carbocyclic influenza neuraminidase inhibitors
  作者：Matthew A. Williams、Willard Lew、Dirk B. Mendel、Chun Y. Tai、Paul A. Escarpe、W.Graeme Laver、Raymond C. Stevens、Choung U. Kim

  DOI：10.1016/s0960-894x(97)00333-8

  日期：1997.7

  The structure-activity relationships (SAR) for a new class of potent inhibitors (1) of influenza neuraminidase are described. Systematic modifications of substituents at the C-3, C-4, and C-5 positions of the carbocyclic ring were performed to establish fundamental SAR to assist in the design of potent inhibitors with activity against both of influenza A and B viruses. (C) 1997 Elsevier Science Ltd.