1-Benzoyl-3-(3-methoxy-4-oxazol-5-yl-phenyl)-thiourea | 267647-78-9

• 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: 1-Benzoyl-3-(3-methoxy-4-oxazol-5-yl-phenyl)-thiourea
• 英文别名: N-((3-methoxy-4-(oxazol-5-yl)phenyl)carbamothioyl)benzamide；N-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamothioyl]benzamide
• CAS: 267647-78-9
• 化学式: C₁₈H₁₅N₃O₃S
• 分子量: 353.401
• InChiKey: VJQUWHHGHIPXSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-Benzoyl-3-(3-methoxy-4-oxazol-5-yl-phenyl)-thiourea 在 氨 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以70%的产率得到N-Benzoyl-N'-(3-methoxy-4-oxazol-5-yl-phenyl)-guanidine
  参考文献：
  名称：

  Novel guanidine-Based inhibitors of inosine monophosphate dehydrogenase

  摘要：

  A series of novel guanidine-based small molecule inhibitors of inosine monophosphate dehydrogenase (IMPDH) was explored. IMPDH catalyzes the rate determining step in guanine nucleotide biosynthesis and is a target for anticancer, immunosuppressive and antiviral therapy. The synthesis and the structure-activity relationships (SARs), derived from in vitro studies, for this new series of inhibitors is given. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00600-5
• 作为产物：
  描述：

  苯甲酰基异硫氰酸酯 、 3-甲氧基-4-(1,3-噁唑)苯胺 以 二氯甲烷 为溶剂， 以94%的产率得到1-Benzoyl-3-(3-methoxy-4-oxazol-5-yl-phenyl)-thiourea
  参考文献：
  名称：

  A survey of cyclic replacements for the central diamide moiety of inhibitors of inosine monophosphate dehydrogenase

  摘要：

  A series of heterocyclic replacements for the central diamide moiety of 1, a potent small molecule inhibitor of inosine monophosphate dehydrogenase (IMPDH) were explored The synthesis and the structure-activity relationships (SARs), derived from in vitro studies, for these new series of inhibitors is given. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00641-8

文献信息

• A survey of cyclic replacements for the central diamide moiety of inhibitors of inosine monophosphate dehydrogenase
  作者：T.G.Murali Dhar、Chunjian Liu、William J. Pitts、Junquing Guo、Scott H. Watterson、Henry Gu、Catherine A. Fleener、Katherine Rouleau、N.Z. Sherbina、Joel C. Barrish、Diane Hollenbaugh、Edwin J. Iwanowicz

  DOI：10.1016/s0960-894x(02)00641-8

  日期：2002.11

  A series of heterocyclic replacements for the central diamide moiety of 1, a potent small molecule inhibitor of inosine monophosphate dehydrogenase (IMPDH) were explored The synthesis and the structure-activity relationships (SARs), derived from in vitro studies, for these new series of inhibitors is given. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Novel guanidine-Based inhibitors of inosine monophosphate dehydrogenase
  作者：Edwin J. Iwanowicz、Scott H. Watterson、Chunjian Liu、Henry H. Gu、Toomas Mitt、Katerina Leftheris、Joel C. Barrish、Catherine A. Fleener、Katherine Rouleau、N.Z. Sherbina、Diane L. Hollenbaugh

  DOI：10.1016/s0960-894x(02)00600-5

  日期：2002.10

  A series of novel guanidine-based small molecule inhibitors of inosine monophosphate dehydrogenase (IMPDH) was explored. IMPDH catalyzes the rate determining step in guanine nucleotide biosynthesis and is a target for anticancer, immunosuppressive and antiviral therapy. The synthesis and the structure-activity relationships (SARs), derived from in vitro studies, for this new series of inhibitors is given. (C) 2002 Elsevier Science Ltd. All rights reserved.