6-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile | 611218-31-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
• 英文别名: 6-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3-nitrile；5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
• CAS: 611218-31-6
• 化学式: C₁₈H₉Cl₃N₂O
• 分子量: 375.641
• InChiKey: NDGCACYDHBEXLK-UHFFFAOYSA-N

物化性质

• 沸点：
  558.9±50.0 °C(Predicted)
• 密度：
  1.52±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile 在 (S,S) catalyst described by Noyori in Angew_. Chem_. Int_. Ed_. Engl_. 1997, 36, 285 咪唑 、 偶氮二甲酸二异丙酯 、 三苯基膦 、 三甲基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 异丙醇 、 甲苯 为溶剂， 反应 35.38h， 生成 (4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-amine
  参考文献：
  名称：

  WO2008/94473

  摘要：

  公开号：
• 作为产物：
  描述：

  2-(4-氯苯基)-1-(2,4-二氯苯基)乙酮 在 甲醇 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 22.5h， 生成 6-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
  参考文献：
  名称：

  WO2008/94473

  摘要：

  公开号：

文献信息

• [EN] SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES<br/>[FR] DERIVES DE NAPHTYRIDINONE SUBSTITUES
  申请人：MERCK & CO INC

  公开号：WO2005047285A1

  公开（公告）日：2005-05-26

  Novel compounds of the structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as centrally acting drugs in the treatment of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinson’s disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, the treatment of obesity or eating disorders, as well as the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, and cirrhosis of the liver.

  结构式（I）的新化合物是大麻素-1（CB1）受体的拮抗剂和/或逆向激动剂，可用于治疗、预防和抑制由CB1受体介导的疾病。本发明的化合物可作为中枢作用药物用于治疗精神病、记忆障碍、认知障碍、偏头痛、神经病、神经炎性疾病（包括多发性硬化症和吉兰-巴雷综合征）、病毒性脑炎、脑血管意外和头部创伤的炎症后遗症、焦虑症、压力、癫痫、帕金森病、运动障碍和精神分裂症。这些化合物还可用于治疗物质滥用障碍、肥胖或进食障碍的治疗，以及治疗哮喘、便秘、慢性肠道假性梗阻和肝硬化。
• Synthesis of functionalized 1,8-naphthyridinones and their evaluation as novel, orally active CB1 receptor inverse agonists
  作者：John S. Debenham、Christina B. Madsen-Duggan、Thomas F. Walsh、Junying Wang、Xinchun Tong、George A. Doss、Julie Lao、Tung M. Fong、Marie-Therese Schaeffer、Jing Chen Xiao、Cathy R.-R.C. Huang、Chun-Pyn Shen、Yue Feng、Donald J. Marsh、D. Sloan Stribling、Lauren P. Shearman、Alison M. Strack、D. Euan MacIntyre、Lex H.T. Van der Ploeg、Mark T. Goulet

  DOI：10.1016/j.bmcl.2005.10.028

  日期：2006.2

  Synthesis, SAR, and binding affinities are described for a new class of 1,8-naphthyridinone CB1 receptor specific inverse agonists. Food intake, knockout mouse, and pharmacokinetic evaluation of 14 indicate that this compound is an effective orally active modulator of CB1.

  合成，SAR和绑定亲和性描述了新型的1,8-萘啶酮CB1受体特异性反向激动剂。食物摄入，基因敲除小鼠和14的药代动力学评估表明，该化合物是CB1的有效口服活性调节剂。
• Pyrimidinones as melanin concentrating hormone receptor 1
  申请人：——

  公开号：US20040220404A1

  公开（公告）日：2004-11-04

  A compound of formula (Ia) comprising a pharmaceutically acceptable salt or solvate thereof, formulations, processes of preparing, and methods of administering to mammals are provided 1

  提供了一种化合物(Ia)的配方，包括其药用可接受的盐或溶剂，制备过程以及对哺乳动物的给药方法。
• Substituted furo[2,3-b]pyridine derivatives
  申请人：Toupence B. Richard

  公开号：US20050272763A1

  公开（公告）日：2005-12-08

  Novel compounds of the structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as centrally acting drugs in the treatment of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinson's disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, the treatment of obesity or eating disorders, as well as the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, and cirrhosis of the liver.

  结构式（I）的新型化合物是大麻素-1（CB1）受体的拮抗剂和/或反向激动剂，可用于治疗、预防和抑制由CB1受体介导的疾病。本发明的化合物可用作中枢作用药物，用于治疗精神病、记忆障碍、认知障碍、偏头痛、神经病、神经炎性疾病（包括多发性硬化和格林-巴利综合征）和病毒性脑炎、脑血管意外和头部创伤的炎症后遗症、焦虑症、压力、癫痫、帕金森病、运动障碍和精神分裂症。这些化合物还可用于治疗物质滥用障碍、肥胖症或进食障碍，以及哮喘、便秘、慢性肠假性梗阻和肝硬化的治疗。
• Substituted 2,3-diphenyl pyridines
  申请人：Finke E Paul

  公开号：US20050182103A1

  公开（公告）日：2005-08-18

  Novel compounds of the structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as centrally acting drugs in the treatment of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinson s disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, the treatment of obesity or eating disorders, as well as the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, and cirrhosis of the liver.

  结构式（I）的新化合物是大麻素-1（CB1）受体的拮抗剂和/或反向激动剂，可用于治疗、预防和抑制由CB1受体介导的疾病。本发明的化合物可用作中枢作用药物，用于治疗精神病、记忆障碍、认知障碍、偏头痛、神经病、神经炎症性疾病，包括多发性硬化症和格林-巴利综合征，以及病毒性脑炎、脑血管意外和头部创伤的炎症后遗症，焦虑症、压力、癫痫、帕金森病、运动障碍和精神分裂症。这些化合物还可用于治疗物质滥用障碍、肥胖症或进食障碍以及哮喘、便秘、慢性肠假性梗阻和肝硬化。