5-(4-Benzylsulfanyl-2-thiophen-2-ylpyrimidin-5-yl)-3-methyl-1,2-oxazole | 212621-42-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-(4-Benzylsulfanyl-2-thiophen-2-ylpyrimidin-5-yl)-3-methyl-1,2-oxazole
• CAS: 212621-42-6
• 化学式: C₁₉H₁₅N₃OS₂
• 分子量: 365.48
• InChiKey: PTCUUZIVISDNLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(4-Benzylsulfanyl-2-thiophen-2-ylpyrimidin-5-yl)-3-methyl-1,2-oxazole 在 间氯过氧苯甲酸 作用下， 生成 5-(3-Methyl-isoxazol-5-yl)-4-phenylmethanesulfonyl-2-thiophen-2-yl-pyrimidine
  参考文献：
  名称：

  Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate

  摘要：

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00312-7
• 作为产物：
  描述：

  4-氯-2-(2-噻吩基)-5-嘧啶羧酸乙酯 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 5-(4-Benzylsulfanyl-2-thiophen-2-ylpyrimidin-5-yl)-3-methyl-1,2-oxazole
  参考文献：
  名称：

  Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate

  摘要：

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00312-7

文献信息

• [EN] PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS<br/>[FR] CARBOXYLATES DE PYRIMIDINE ET COMPOSES APPARENTES ET PROCEDES POUR LE TRAITEMENT D'ETATS INFLAMMATOIRES
  申请人：SIGNAL PHARMACEUTICALS, INC.

  公开号：WO1998038171A1

  公开（公告）日：1998-09-03

  (EN) Compounds having utility as anti-inflammatory agents in general and, more specifically, for the prevention and/or treatment of immunoinflammatory and autoimmune diseases are disclosed. The compounds are pyrimidine-containing compounds and, in one embodiment, are esters of the same. Methods are also disclosed for preventing and/or treating inflammatory conditions by administering to an animal in need thereof an effective amount of a compound of this invention, preferably in the form of a pharmaceutical composition. (FR) Cette invention se rapporte à des composés utiles comme agents anti-inflammatoires en général et, plus particulièrement, pour la prévention et/ou le traitement de maladies immuno-inflammatoires et auto-immunes. Ces composés sont des composés contenant des pyrinidines et, dans un mode de réalisation, ce sont des esters de ces mêmes composés. Cette invention présente des procédés permettant de prévenir et/ou de traiter des états inflammatoires en administrant à un animal nécessitant un tel traitement une quantité efficace d'un composé de cette invention, de préférence sous la forme d'une composition pharmaceutique.

  具有抗炎作用的化合物，一般用于预防和/或治疗免疫炎症和自身免疫性疾病。这些化合物是含有嘧啶的化合物，其中一种实施方式是它们的酯类。该发明还揭示了通过向需要治疗的动物中投与本发明化合物的有效量，特别是以药物组成的形式，来预防和/或治疗炎症状况的方法。
• US5935966A
  申请人：——

  公开号：US5935966A

  公开（公告）日：1999-08-10
• Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate
  作者：Moorthy S.S Palanki、Paul E Erdman、Anthony M Manning、Arnold Ow、Lynn J Ransone、Cheryl Spooner、Carla Suto、Mark Suto

  DOI：10.1016/s0960-894x(00)00312-7

  日期：2000.8

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.