2-Fluoro-N-(4-{3-[1-(4-fluoro-phenyl)-ethyl]-thioureido}-2-methoxy-phenyl)-benzamide

• 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: 2-Fluoro-N-(4-{3-[1-(4-fluoro-phenyl)-ethyl]-thioureido}-2-methoxy-phenyl)-benzamide
• 英文别名: 2-fluoro-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]-2-methoxy-phenyl]benzamide；2-fluoro-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]-2-methoxyphenyl]benzamide
• 化学式: C₂₃H₂₁F₂N₃O₂S
• 分子量: 441.501
• InChiKey: FAKLTJLEHBRFDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  94.5
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-甲氧基-4-硝基苯胺 以 四氢呋喃 、 乙腈 为溶剂， 生成 2-Fluoro-N-(4-{3-[1-(4-fluoro-phenyl)-ethyl]-thioureido}-2-methoxy-phenyl)-benzamide
  参考文献：
  名称：

  Thiourea inhibitors of herpesviruses. Part 3: Inhibitors of varicella zoster virus

  摘要：

  The preparation of alpha-methylbenzyl thioureas and their biological activity against varicella zoster virus is described. Several analogs demonstrated IC(50)s < 0.1 muM and their SAR are discussed. These compounds represent a novel class of potent and selective nonnucleoside inhibitors of varicella zoster virus. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.025

文献信息

• [EN] THIOUREA INHIBITORS OF HERPES VIRUSES<br/>[FR] THIO-UREES INHIBITRICES DES VIRUS DE L'HERPES
  申请人：AMERICAN HOME PROD

  公开号：WO2000034268A1

  公开（公告）日：2000-06-15

  Compounds of formula (I) wherein A is heteroaryl; R9-R12 are independently hydrogen, alkyl of 1 to 4 carbon atoms, perhaloalkyl of 1 to 4 carbon atoms, halogen, alkoxy of 1 to 4 carbon atoms, or cyano, or R9 and R10 or R11 and R12 may be taken together to form aryl of 5 to 7 carbon atoms; W is O, NR6, or is absent; G is aryl or heteroaryl; and X is a bond, -NH, alkyl of 1 to 6 carbon atoms, alkenyl of 1 to 6 carbon atoms, alkoxy of 1 to 6 carbon atoms, thioalkyl of 1 to 6 carbon atoms, alkylamino of 1 to 6 carbon atoms, or (CH)J; and J is alkyl of 1 to 6 carbon atoms, cycloalkyl of 3 to 7 carbon atoms, phenyl or benzyl; and n is an integer from 1 to 6; or a pharmaceutical salt thereof, useful in the treatment of diseases associated with herpes viruses including human cytomegalovirus, herpes simplex viruses, Epstein-Barr virus, varicella-zoster virus, human herpesviruses-6 and -7, and Kaposi herpesvirus.

  化合物的式子（I），其中A是杂环芳基；R9-R12独立地是氢，1到4个碳原子的烷基，1到4个碳原子的全氟烷基，卤素，1到4个碳原子的烷氧基，或氰基，或者R9和R10或R11和R12可以结合成5到7个碳原子的芳基；W是O，NR6，或不存在；G是芳基或杂环芳基；X是键，-NH，1到6个碳原子的烷基，1到6个碳原子的烯基，1到6个碳原子的烷氧基，1到6个碳原子的硫代烷基，1到6个碳原子的烷基氨基，或（CH）J；J是1到6个碳原子的烷基，3到7个碳原子的环烷基，苯基或苄基；n是1到6的整数；或其药用盐，用于治疗与疱疹病毒相关的疾病，包括人类巨细胞病毒，单纯疱疹病毒，埃普斯坦-巴尔病毒，水痘-带状疱疹病毒，人类疱疹病毒6和7，以及卡波西疱疹病毒。
• ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP
  申请人：Wyeth

  公开号：EP1137645B1

  公开（公告）日：2004-05-26
• HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP
  申请人：Wyeth

  公开号：EP1144397A3

  公开（公告）日：2002-09-11
• THIOUREA INHIBITORS OF HERPES VIRUSES
  申请人：AMERICAN HOME PRODUCTS CORPORATION

  公开号：EP1137632A1

  公开（公告）日：2001-10-04
• ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES
  申请人：AMERICAN HOME PRODUCTS CORPORATION

  公开号：EP1137633A2

  公开（公告）日：2001-10-04