benzyl 4-pyridylacetate | 380830-50-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl 4-pyridylacetate
• 英文别名: Benzyl 2-pyridin-4-ylacetate
• CAS: 380830-50-2
• 化学式: C₁₄H₁₃NO₂
• 分子量: 227.263
• InChiKey: HGIBSZNFSJTSOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzyl 4-pyridylacetate 、 potassium;hydride 、 1,4-二溴丁烷 生成 1-(4-Pyridyl)cyclopentanecarboxylic acid, benzyl ester
  参考文献：
  名称：

  Diphenyl cyclopentyl amides as cannabinoid-1 receptor inverse agonists

  摘要：

  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精神药物，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-巴利综合症）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、慢性肠假梗阻和肝硬化的治疗。

  公开号：

  US07423067B2
• 作为产物：
  描述：

  4-吡啶乙酸乙酯 在 potassium carbonate 作用下， 以 乙醇 、 苯甲醇 为溶剂， 以75%的产率得到benzyl 4-pyridylacetate
  参考文献：
  名称：

  Tricyclic pyridin-2-one analogue as a GABA receptor ligand

  摘要：

  9-(4-甲基噻唑-2-基)-11-(吡啶-4-基)-6,7-二氢-5H-2,7a-二氮杂二苯并[a,c]环庚-8-酮及其药学上可接受的盐是GABA A 受体的选择性配体，特别是对其中的a2和/或a3亚单位具有高亲和力，因此对于治疗和/或预防中枢神经系统疾病，包括焦虑和惊厥，具有益处。

  公开号：

  US20010053776A1

文献信息

• Spirocyclic amides as cannabinoid receptor modulators
  申请人：Hagmann K. William

  公开号：US20050239828A1

  公开（公告）日：2005-10-27

  Novel compounds of 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 psychotropic 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, Parkinsons 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，并可用于治疗、预防和抑制由CB1受体介导的疾病。本发明的化合物可用作精神药物，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）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、帕金森氏症、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。
• SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS
  申请人：Merck & Co., Inc.

  公开号：EP1490043A2

  公开（公告）日：2004-12-29
• EP1490043A4
  申请人：——

  公开号：EP1490043A4

  公开（公告）日：2007-05-30
• US7423067B2
  申请人：——

  公开号：US7423067B2

  公开（公告）日：2008-09-09
• [EN] TRICYCLIC PYRIDIN-2-ONE ANALOGUES AS LIGANDS FOR GABA-A RECEPTORS<br/>[FR] ANALOGUES DE PYRIDINE-2-ONE TRICYCLIQUE UTILES EN TANT QUE LIGANDS POUR LES RECEPTEURS GABA-A
  申请人：MERCK SHARP & DOHME

  公开号：WO2003016311A1

  公开（公告）日：2003-02-27

  A class of selectively substituted fused tricyclic compounds based on a substituted pyridinone moiety are potent and functionally selective ligands for the α2/α3 subunit of the human GABA-A receptor and are thereby effective in the treatment of anxiety. The present invention provides a compound of formula (I), or a salt or N-oxide thereof: wherein E represents -(CH2)n-; n is 1, 2 or 3; R1 represents aryl, C¿3-7? heterocycloalkyl, C3-7 heterocycloalkenyl or heteroaryl, any of which groups may be optionally substituted; or halogen, -NHCOR?3, -COR3¿ or CO¿2R?3; R2 represents aryl or heteroaryl, either of which groups may be optionally substituted; and R3 represents C¿3-6? alkyl, hydroxy(C1-6)alkyl, C2-6 alkenyl, C3-7 cycloalkyl, aryl, aryl(C1-6)alkyl, heteroaryl or heteroaryl(C1-6)alkyl, any of which groups may be optionally substituted; said optional substitutents on R?1, R2 and R3¿ being independently selected from C¿1-6? alkyl, halo(C1-6)alkyl, C3-7 cycloalkyl, halogen, formyl and C2-6 alkylcarbonyl; excluding compounds in which R?1¿ represents methylthiazolyl or hydroxymethylthiazolyl.