methyl 6-methyl-2-phenylpyrimidine-4-carboxylate | 73955-54-1

• 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: methyl 6-methyl-2-phenylpyrimidine-4-carboxylate
• 英文别名: 6-methyl-2-phenyl-pyrimidine-4-carboxylic acid methyl ester
• CAS: 73955-54-1
• 化学式: C₁₃H₁₂N₂O₂
• 分子量: 228.25
• InChiKey: WSLFKLAXIFCTOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 6-methyl-2-phenylpyrimidine-4-carboxylate 在 甲醇 、 selenium(IV) oxide 、 sodium tetrahydroborate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 、 sodium hydroxide 、 三氯氧磷 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 为溶剂， 生成 4-{(S)-4-carboxy-2-[(2-phenyl-6-piperidin-1-ylmethyl-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：

  2-氯-6-甲基嘧啶-4-羧酸甲酯 、 苯硼酸 在 potassium fluoride 、 tris-(dibenzylideneacetone)dipalladium(0) 、 三叔丁基膦 作用下， 以 四氢呋喃 为溶剂， 以98.1 %的产率得到methyl 6-methyl-2-phenylpyrimidine-4-carboxylate
  参考文献：
  名称：

  [EN] POLYCYCLIC COMPOUND AND APPLICATION THEREOF
  [FR] COMPOSÉ POLYCYCLIQUE ET SON APPLICATION
  [ZH] 一种多环化合物及其应用

  摘要：

  提供了一种通式(I)所示的化合物或其互变异构体、内消旋体、外消旋体、对映异构体、非对映异构体或其混合物形式、氘代同位素衍生物、药学上可接受的水合物、溶剂化物、盐或共晶，及其药物组合物，及其在制备用于赖氨酸特异性去甲基化酶1抑制剂相关疾病的药物中的应用。

  公开号：

  WO2022199662A1

文献信息

• Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists
  申请人：Caroff Eva

  公开号：US20080194576A1

  公开（公告）日：2008-08-14

  The invention relates to 4-aminocarbonyl-pyrimidine derivatives and their use as P2Y 12 receptor antagonists in the treatment and/or prevention and/or treatment of peripheral vascular, of visceral-, hepatic- and renal-vascular, of cardiovascular and of cerebrovascular diseases or conditions associated with platelet aggregation, including thrombosis in humans and other mammals.

  该发明涉及4-氨基甲酰基嘧啶衍生物及其作为P2Y12受体拮抗剂在治疗和/或预防外周血管、内脏-、肝脏-和肾脏血管、心血管和脑血管疾病或与血小板聚集有关的疾病或状况的用途，包括在人类和其他哺乳动物中的血栓形成。
• Pyrimidine derivatives and their use as P2Y12 receptor antagonists
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：US08048881B2

  公开（公告）日：2011-11-01

  The invention relates to 4-aminocarbonyl-pyrimidine derivatives and their use as P2Y12 receptor antagonists in the treatment and/or prevention and/or treatment of peripheral vascular, of visceral-, hepatic- and renal-vascular, of cardiovascular and of cerebrovascular diseases or conditions associated with platelet aggregation, including thrombosis in humans and other mammals.

  该发明涉及4-氨基羰基嘧啶衍生物及其作为P2Y12受体拮抗剂在治疗和/或预防和/或治疗与血小板聚集有关的外周血管、内脏、肝脏和肾脏血管、心血管和脑血管疾病或病状，包括哺乳动物中的血栓形成的用途。
• SOLUBILIZED THIAZOLOPYRIDINES
  申请人：Vu Chi B.

  公开号：US20110009381A1

  公开（公告）日：2011-01-13

  Provided herein are novel sirtuin-modulating compounds Structural Formula (I): and methods of use thereof. The sirtuin-modulating compounds may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders including, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. Also provided are compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

  本文提供了一种新的调节sirtuin的化合物结构式（I）和其使用方法。这些sirtuin调节化合物可用于延长细胞寿命，治疗和/或预防各种疾病和疾病，包括与衰老或压力有关的疾病或疾病，糖尿病，肥胖症，神经退行性疾病，心血管疾病，血液凝块疾病，炎症，癌症和/或潮红，以及需要增加线粒体活性的疾病或疾病。还提供了包含sirtuin调节化合物与另一种治疗剂组合的组合物。
• [EN] SOLUBILIZED THIAZOLOPYRIDINES<br/>[FR] THIAZOLOPYRIDINES SOLUBILISÉES
  申请人：SIRTRIS PHARMACEUTICALS INC

  公开号：WO2009061453A8

  公开（公告）日：2010-08-19
• PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP1893634A2

  公开（公告）日：2008-03-05