2,6-diphenylpyrimidine-4-carboxylic acid | 905589-80-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,6-diphenylpyrimidine-4-carboxylic acid
• CAS: 905589-80-2
• 化学式: C₁₇H₁₂N₂O₂
• 分子量: 276.294
• InChiKey: AYCJYUSHQXDYPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-diphenylpyrimidine-4-carboxylic acid 、 4-((S)-2-amino-4-tert-butoxycarbonyl-butyryl)piperazine-1-carboxylic acid ethyl ester 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-{(S)-4-tert-butoxycarbonyl-2-[(2,6-diphenyl-pyrimidine-4-carbonyl)-amino]-butyryl}-piperazine-1-carboxylic acid ethyl ester
  参考文献：
  名称：

  Optimization of 2-phenyl-pyrimidine-4-carboxamides towards potent, orally bioavailable and selective P2Y12 antagonists for inhibition of platelet aggregation

  摘要：

  2-Phenyl-pyrimidine-4-carboxamide analogs were identified as P2Y12 antagonists. Optimization of the carbon-linked or nitrogen-linked substituent at the 6-position of the pyrimidine ring provided compounds with excellent ex vivo potency in the platelet aggregation assay in human plasma. Compound 23u met the objectives for activity, selectivity and ADMET properties.

  DOI：

  10.1016/j.bmcl.2014.06.070
• 作为产物：
  描述：

  在 potassium permanganate 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 2,6-diphenylpyrimidine-4-carboxylic acid
  参考文献：
  名称：

  Optimization of 2-phenyl-pyrimidine-4-carboxamides towards potent, orally bioavailable and selective P2Y12 antagonists for inhibition of platelet aggregation

  摘要：

  2-Phenyl-pyrimidine-4-carboxamide analogs were identified as P2Y12 antagonists. Optimization of the carbon-linked or nitrogen-linked substituent at the 6-position of the pyrimidine ring provided compounds with excellent ex vivo potency in the platelet aggregation assay in human plasma. Compound 23u met the objectives for activity, selectivity and ADMET properties.

  DOI：

  10.1016/j.bmcl.2014.06.070

文献信息

• Amide Compound
  申请人：Ogino Masaki

  公开号：US20090048258A1

  公开（公告）日：2009-02-19

  The present invention relate to a compound represented by the formula (I) or (II) wherein ring A is an optionally substituted ring (the ring should not be pyrrolidine, piperidine and piperazine), ring B is an optionally substituted aromatic ring, ring D is an optionally substituted ring, R 1 and R 2 are each independently a hydrogen atom or a substituent, R 3 is a hydrogen atom or a C 1-6 alkyl group, or R 3 is bonded to ring A to form a non-aromatic ring, ring Aa is an optionally substituted aromatic hydrocarbon, Y is CH or N, Ra 1 is an optionally substituted hydrocarbon group, and Ra 2 and Ra 3 are each independently a hydrogen atom or a substituent, or a salt thereof. The present invention provides a compound having a DGAT inhibitory activity, which is useful for the treatment or amelioration of diseases or pathologies caused by high expression or high activation of DGAT.

  本发明涉及一种由公式（I）或（II）表示的化合物，其中环A是一个可选的取代环（该环不应为吡咯烷，哌啶和哌嗪），环B是一个可选的取代芳香环，环D是一个可选的取代环，R1和R2分别是氢原子或取代基，R3是氢原子或C1-6烷基，或者R3与环A连接形成非芳香环，环Aa是一个可选的取代芳香烃，Y是CH或N，Ra1是一个可选的取代烃基，Ra2和Ra3分别是氢原子或取代基，或其盐。本发明提供了一种具有DGAT抑制活性的化合物，可用于治疗或改善由高表达或高激活DGAT引起的疾病或病理学。
• AMIDE COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1845081A1

  公开（公告）日：2007-10-17

  The present invention relate to a compound represented by the formula (I) or (II) wherein ring A is an optionally substituted ring (the ring should not be pyrrolidine, piperidine and piperazine), ring B is an optionally substituted aromatic ring, ring D is an optionally substituted ring, R1 and R2 are each independently a hydrogen atom or a substituent, R3 is a hydrogen atom or a C1-6 alkyl group, or R3 is bonded to ring A to form a non-aromatic ring, ring Aa is an optionally substituted aromatic hydrocarbon, Y is CH or N, Ra1 is an optionally substituted hydrocarbon group, and Ra2 and Ra3 are each independently a hydrogen atom or a substituent, or a salt thereof. The present invention provides a compound having a DGAT inhibitory activity, which is useful for the treatment or amelioration of diseases or pathologies caused by high expression or high activation of DGAT.

  本发明涉及由式 (I) 或 (II) 所代表的化合物 其中 环 A 是任选取代的环（该环不应是吡咯烷、哌啶和哌嗪）、 环 B 是任选取代的芳香环 环 D 是任选取代的环、 R1 和 R2 各自独立地为氢原子或取代基、 R3 是氢原子或 C1-6 烷基，或 R3 与环 A 键合形成非芳香环、 环 Aa 是任选取代的芳香烃，Y 是 CH 或 N、 Ra1 是任选取代的烃基，以及 Ra2 和 Ra3 各自独立地为氢原子或取代基、 或其盐。 本发明提供了一种具有 DGAT 抑制活性的化合物，可用于治疗或改善由 DGAT 高表达或高活化引起的疾病或病理现象。
• WO2006/82952
  申请人：——

  公开号：——

  公开（公告）日：——
• EP1845081
  申请人：——

  公开号：——

  公开（公告）日：——
• Optimization of 2-phenyl-pyrimidine-4-carboxamides towards potent, orally bioavailable and selective P2Y12 antagonists for inhibition of platelet aggregation
  作者：Eva Caroff、Emmanuel Meyer、Alexander Treiber、Kurt Hilpert、Markus A. Riederer

  DOI：10.1016/j.bmcl.2014.06.070

  日期：2014.9

  2-Phenyl-pyrimidine-4-carboxamide analogs were identified as P2Y12 antagonists. Optimization of the carbon-linked or nitrogen-linked substituent at the 6-position of the pyrimidine ring provided compounds with excellent ex vivo potency in the platelet aggregation assay in human plasma. Compound 23u met the objectives for activity, selectivity and ADMET properties.