oxazole-4-carboxylic acid {4-[3-(3,5-bis-trifluoromethyl-phenyl)-thioureido]-phenyl}-amide

• 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: oxazole-4-carboxylic acid {4-[3-(3,5-bis-trifluoromethyl-phenyl)-thioureido]-phenyl}-amide
• 英文别名: 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(4-oxazolylcarbonylamino)phenyl]thiourea；N-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-1,3-oxazole-4-carboxamide
• 化学式: C₁₉H₁₂F₆N₄O₂S
• 分子量: 474.386
• InChiKey: YONZHEHVTCKMPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  {4-[(Oxazole-4-carbonyl)-amino]-phenyl}-carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 以 乙腈 为溶剂， 生成 oxazole-4-carboxylic acid {4-[3-(3,5-bis-trifluoromethyl-phenyl)-thioureido]-phenyl}-amide
  参考文献：
  名称：

  Thiourea inhibitors of herpes viruses. part 1: bis-(aryl)thiourea inhibitors of CMV

  摘要：

  Bis-(aryl)thioureas were found to be potent and selective inhibitors of cytomegalovirus (CMV) in cultured HFF cells. Of these, the thiazole analogue 38 was investigated as a potential development candidate. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00586-9

文献信息

• US6262082B1
  申请人：——

  公开号：US6262082B1

  公开（公告）日：2001-07-17
• Thiourea inhibitors of herpes viruses. part 1: bis-(aryl)thiourea inhibitors of CMV
  作者：Jonathan D. Bloom、Martin J. DiGrandi、Russell G. Dushin、Kevin J. Curran、Adma A. Ross、Emily B. Norton、Eugene Terefenko、Thomas R. Jones、Boris Feld、Stanley A. Lang

  DOI：10.1016/s0960-894x(03)00586-9

  日期：2003.9

  Bis-(aryl)thioureas were found to be potent and selective inhibitors of cytomegalovirus (CMV) in cultured HFF cells. Of these, the thiazole analogue 38 was investigated as a potential development candidate. (C) 2003 Elsevier Ltd. All rights reserved.