N-[N-(4-cyanophenyl)carbamimidoyl]-2-(2,6-dichlorophenyl)acetamidine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[N-(4-cyanophenyl)carbamimidoyl]-2-(2,6-dichlorophenyl)acetamidine
• 英文别名: N'-[N'-(4-cyanophenyl)carbamimidoyl]-2-(2,6-dichlorophenyl)ethanimidamide
• 化学式: C₁₆H₁₃Cl₂N₅
• 分子量: 346.219
• InChiKey: HZCQEPUEQYPGAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,6-二氯苯乙腈 在 三甲基铝 、 氯化铵 作用下， 以 甲苯 、 乙腈 为溶剂， 生成 N-[N-(4-cyanophenyl)carbamimidoyl]-2-(2,6-dichlorophenyl)acetamidine
  参考文献：
  名称：

  Evolution of anti-HIV drug candidates. Part 1: From α-Anilinophenylacetamide (α-APA) to imidoyl thiourea (ITU)

  摘要：

  Stemming from work on a previous clinical candidate, loviride, and other a-APA derivatives, a new series of potent non-nucleoside reverse transcriptase inhibitors (NNRTIs) has been synthesized. The ITU analogues, which contain a unique diarylated imidoyl thiourea, are very active in inhibiting both wild-type and clinically important mutant strains of HIV-1. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00410-3

文献信息

• Evolution of anti-HIV drug candidates. Part 1: From α-Anilinophenylacetamide (α-APA) to imidoyl thiourea (ITU)
  作者：Donald W. Ludovici、Michael J. Kukla、Philip G. Grous、Suma Krishnan、Koen Andries、Marie-Pierre de Béthune、Hilde Azijn、Rudi Pauwels、Erik De Clercq、Edward Arnold、Paul A.J. Janssen

  DOI：10.1016/s0960-894x(01)00410-3

  日期：2001.9

  Stemming from work on a previous clinical candidate, loviride, and other a-APA derivatives, a new series of potent non-nucleoside reverse transcriptase inhibitors (NNRTIs) has been synthesized. The ITU analogues, which contain a unique diarylated imidoyl thiourea, are very active in inhibiting both wild-type and clinically important mutant strains of HIV-1. (C) 2001 Elsevier Science Ltd. All rights reserved.