N-(2-Hydroxy-2-phenylethyl)-N'-[3-methoxy-4-(5-oxazolyl)phenyl]thiourea | 267648-04-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(2-Hydroxy-2-phenylethyl)-N'-[3-methoxy-4-(5-oxazolyl)phenyl]thiourea
• 英文别名: 1-(2-Hydroxy-2-phenylethyl)-3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]thiourea
• CAS: 267648-04-4
• 化学式: C₁₉H₁₉N₃O₃S
• 分子量: 369.444
• InChiKey: WXZXVWVIEGKQTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(2-Hydroxy-2-phenylethyl)-N'-[3-methoxy-4-(5-oxazolyl)phenyl]thiourea 在 3-ethyl-2-chlorobenzoxazolium tetrafluoroborate 、 三乙胺 作用下， 以 乙腈 为溶剂， 以70%的产率得到4,5-Dihydro-N-[3-methoxy-4-(5-oxazolyl)phenyl]-5-phenyl-2-oxazolamine
  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
• 作为产物：
  描述：

  3-甲氧基-4-(1,3-噁唑)苯胺 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 N-(2-Hydroxy-2-phenylethyl)-N'-[3-methoxy-4-(5-oxazolyl)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

• [EN] COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME<br/>[FR] COMPOSES DERIVES D'UN NOYAU AMINE INHIBITEURS DE L'ENZYME IMPDH
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2000025780A1

  公开（公告）日：2000-05-11

  The present invention discloses the identification of the novel inhibitors of IMPDH (inosine-5'-monophosphate dehydrogenase). The compounds and pharmaceutical compositions disclosed herein are useful in treating or preventing IMPDH mediated diseases, such as transplant rejection and autoimmune diseases.

  本发明揭示了IMPDH（鸟苷-5'-单磷酸脱氢酶）的新型抑制剂的鉴定。本文所披露的化合物和药物组合物对于治疗或预防IMPDH介导的疾病，如移植排斥和自身免疫疾病，是有用的。
• EP1126843A4
  申请人：——

  公开号：EP1126843A4

  公开（公告）日：2005-06-15
• COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP1126843A1

  公开（公告）日：2001-08-29
• US6399773B1
  申请人：——

  公开号：US6399773B1

  公开（公告）日：2002-06-04