PETT deriv. 2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: PETT deriv. 2
• 英文别名: 1-(5-chloropyridin-2-yl)-3-cyano-2-(2-phenylethyl)guanidine
• 化学式: C₁₅H₁₄ClN₅
• 分子量: 299.763
• InChiKey: BQIWXJTWIAUUEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  73.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-chloro-pyridin-2-yl isothiocyanate 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙醇 为溶剂， 生成 PETT deriv. 2
  参考文献：
  名称：

  Bioisosteric modification of PETT-HIV-1 RT-inhibitors: synthesis and biological evaluation

  摘要：

  Bioisosteric substitution of the thiourea (3, 5, 7, 9) and urea (10) moiety of PETT compounds with sulfamide (1), cyanoguanidine (2, 4) and guanidine (6, 8) functionalities, and replacement of the phenethyl group with benzoylethyl group (compounds 11-20) have been studied. Synthesis and antiviral activities are described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00675-7

文献信息

• Bioisosteric modification of PETT-HIV-1 RT-inhibitors: synthesis and biological evaluation
  作者：Marita Högberg、Per Engelhardt、Lotta Vrang、Hong Zhang

  DOI：10.1016/s0960-894x(99)00675-7

  日期：2000.2

  Bioisosteric substitution of the thiourea (3, 5, 7, 9) and urea (10) moiety of PETT compounds with sulfamide (1), cyanoguanidine (2, 4) and guanidine (6, 8) functionalities, and replacement of the phenethyl group with benzoylethyl group (compounds 11-20) have been studied. Synthesis and antiviral activities are described. (C) 2000 Elsevier Science Ltd. All rights reserved.