ethyl 4,7-dihydro-2-phenyl-7-oxopyrazolo<1,5-a>pyrimidin-6-carboxylate | 79039-19-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 4,7-dihydro-2-phenyl-7-oxopyrazolo<1,5-a>pyrimidin-6-carboxylate
• 英文别名: ethyl 4,7-dihydro-7-oxo-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
• CAS: 79039-19-3
• 化学式: C₁₅H₁₃N₃O₃
• 分子量: 283.287
• InChiKey: UAZZQZSMBAPYCD-UHFFFAOYSA-N

物化性质

• 熔点：
  302-304 °C(Solv: N,N-dimethylformamide (68-12-2))
• 沸点：
  479.1±55.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.87
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  76.46
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ethyl 4,7-dihydro-2-phenyl-7-oxopyrazolo<1,5-a>pyrimidin-6-carboxylate 在 喹啉 、 sodium hydroxide 、 铜 作用下， 以 甲醇 、 乙醚 、 水 为溶剂， 生成 4-甲基-2-苯基吡唑并[5,1-b]嘧啶-7-酮
  参考文献：
  名称：

  Pecori Vettori; Cecchi; Costanzo, Farmaco, Edizione Scientifica, 1981, vol. 36, # 6, p. 441 - 448

  摘要：

  DOI：
• 作为产物：
  描述：

  diethyl 2-<<(3-phenyl-5-pyrazolyl)amino>methylen>propandioate 以 melt 为溶剂， 生成 ethyl 4,7-dihydro-2-phenyl-7-oxopyrazolo<1,5-a>pyrimidin-6-carboxylate
  参考文献：
  名称：

  Pecori Vettori; Cecchi; Costanzo, Farmaco, Edizione Scientifica, 1981, vol. 36, # 6, p. 441 - 448

  摘要：

  DOI：

文献信息

• HETEROCYCLIC PYRIMIDINE CARBONIC ACID DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE
  申请人：Savira Pharmaceuticals GmbH

  公开号：US20130317021A1

  公开（公告）日：2013-11-28

  The present invention relates to a compound having the general formula (C), optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, codrug, cocrystal, prodrug, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, which are useful in treating, ameliorating or preventing a viral disease. Furthermore, specific combination therapies are disclosed.

  本发明涉及具有通式（C）的化合物，可选地以药学上可接受的盐、溶剂合物、多型体、共药、共晶、前药、互变异构体、外消旋体、对映体或二对映体或其混合物的形式存在，这些化合物在治疗、改善或预防病毒性疾病方面是有用的。此外，还披露了特定的联合疗法。
• 7-OXO-THIAZOLOPYRIDINE CARBONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE
  申请人：Savira Pharmaceuticals GmbH

  公开号：US20130317022A1

  公开（公告）日：2013-11-28

  The present invention relates to a compound having the general formula (A), optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, codrug, cocrystal, prodrug, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, which are useful in treating, ameloriating or preventing a viral disease. Furthermore, specific combination therapies are disclosed.

  本发明涉及具有通式（A）的化合物，可选地以药学上可接受的盐、溶剂合物、多型体、共药、共晶、前药、互变异构体、外消旋体、对映体或二对映体或其混合物的形式存在，这些化合物在治疗、缓解或预防病毒性疾病方面是有用的。此外，还披露了特定的联合疗法。
• Discovery of 7-Oxopyrazolo[1,5-<i>a</i>]pyrimidine-6-carboxamides as Potent and Selective CB₂ Cannabinoid Receptor Inverse Agonists
  作者：Mojgan Aghazadeh Tabrizi、Pier Giovanni Baraldi、Giulia Saponaro、Allan R. Moorman、Romeo Romagnoli、Delia Preti、Stefania Baraldi、Emanuela Ruggiero、Cristina Tintori、Tiziano Tuccinardi、Fabrizio Vincenzi、Pier Andrea Borea、Katia Varani

  DOI：10.1021/jm400182t

  日期：2013.6.13

  We recently described the medicinal chemistry of a new series of heteroaryl-4-oxopyridine/7-oxopyrimidines as CB2 receptor partial agonists, showing that the functionality of these ligands is controlled by the nature of the heteroaryl function condensed with the pyridine ring. We describe herein the design and synthesis of the 7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamides, structural isomers of our previously reported pyrazolo[3,4-Hpyridines. All of the new compounds showed high affinity and selectivity for the CB2 receptor in the nanomolar range. In 3,5-cyclic adenosine monophosphate (cAMP) assays, the novel series shows stimulatory effects on forskolin-induced cAMP production acting as inverse agonists.
• VETTORI L. P.; CECCHI L.; COSTANZO A.; AUZZI G.; BRUNI F., FARMACO ED. SCI., 1981, 36, NO 6, 441-448
  作者：VETTORI L. P.、 CECCHI L.、 COSTANZO A.、 AUZZI G.、 BRUNI F.

  DOI：——

  日期：——
• 3-Halopyrazolo[1,5-a]pyrimidines as promising precursors of novel C-nucleosides
  作者：E. M. Mukhin、K. V. Savateev、E. K. Voinkov、E. N. Ulomsky、V. L. Rusinov

  DOI：10.1007/s11172-023-3965-0

  日期：2023.8