2-(3-(piperidin-4-ylidenemethyl)phenoxy)-5-(trifluoromethyl)pyridine hydrochloride | 1020325-53-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(3-(piperidin-4-ylidenemethyl)phenoxy)-5-(trifluoromethyl)pyridine hydrochloride
• 英文别名: 2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine;hydrochloride
• CAS: 1020325-53-4
• 化学式: C₁₈H₁₇F₃N₂O*ClH
• 分子量: 370.802
• InChiKey: UJNBIZBNJAGGKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.08
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  34.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(3-(piperidin-4-ylidenemethyl)phenoxy)-5-(trifluoromethyl)pyridine hydrochloride 在 吡啶 、 三乙胺 作用下， 以 1,4-二氧六环 、 乙腈 为溶剂， 反应 22.0h， 生成 methyl 4-oxo-4-(4-(3-((5-(trifluoromethyl)pyridin-2-yl)oxy)benzylidene)piperidine-1-carboxamido)butanoate
  参考文献：
  名称：

  [EN] BIARYL ETHER UREA COMPOUNDS AS FAAH INHIBITORS
  [FR] COMPOSÉS DE BIARYL-ÉTHER-URÉE UTILES COMME INHIBITEURS DE LA FAAH

  摘要：

  The disclosure is directed to compounds of Formula (I) and pharmaceutically acceptable salts and solvates thereof. The disclosure is also directed to pharmaceutical compositions containing compounds of Formula (I) and pharmaceutically acceptable salts or solvates thereof, and uses of the pharmaceutical compositions in treating diseases, conditions, and disorders associated with fatty acid amide hydrolase (FAAH) activity.

  公开号：

  WO2024013567A1
• 作为产物：
  描述：

  2-(3-(氯甲基)苯氧基)-5-(三氟甲基)吡啶 在 盐酸 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 反应 17.0h， 生成 2-(3-(piperidin-4-ylidenemethyl)phenoxy)-5-(trifluoromethyl)pyridine hydrochloride
  参考文献：
  名称：

  [EN] BIARYL ETHER UREA COMPOUNDS AS FAAH INHIBITORS
  [FR] COMPOSÉS DE BIARYL-ÉTHER-URÉE UTILES COMME INHIBITEURS DE LA FAAH

  摘要：

  The disclosure is directed to compounds of Formula (I) and pharmaceutically acceptable salts and solvates thereof. The disclosure is also directed to pharmaceutical compositions containing compounds of Formula (I) and pharmaceutically acceptable salts or solvates thereof, and uses of the pharmaceutical compositions in treating diseases, conditions, and disorders associated with fatty acid amide hydrolase (FAAH) activity.

  公开号：

  WO2024013567A1

文献信息

• Biaryl Ether Urea Compounds
  申请人：FAY Lorraine Kathleen

  公开号：US20080261941A1

  公开（公告）日：2008-10-23

  The present invention relates to compounds of Formula (I) or a pharmaceutically acceptable salt thereof; processes for the preparation of the compounds; intermediates used in the preparation of the compounds; compositions containing the compounds; and uses of the compounds in treating diseases or conditions associated with fatty acid amide hydrolase (FAAH) activity.

  本发明涉及式(I)的化合物或其药用可接受的盐；制备该化合物的方法；制备该化合物所用的中间体；含有该化合物的组合物；以及利用该化合物治疗与脂肪酸酰胺水解酶(FAAH)活性相关的疾病或症状。
• Biaryl ether urea compounds
  申请人：Pfizer Inc.

  公开号：US08044052B2

  公开（公告）日：2011-10-25

  The present invention relates to compounds of Formula (I) or a pharmaceutically acceptable salt thereof; processes for the preparation of the compounds; intermediates used in the preparation of the compounds; compositions containing the compounds; and uses of the compounds in treating diseases or conditions associated with fatty acid amide hydrolase (FAAH) activity.

  本发明涉及式（I）化合物或其药学上可接受的盐；制备该化合物的方法；制备该化合物的中间体；含有该化合物的组合物；以及使用该化合物治疗与脂肪酸酰胺水解酶（FAAH）活性相关的疾病或病况的用途。
• Discovery of PF-04457845: A Highly Potent, Orally Bioavailable, and Selective Urea FAAH Inhibitor
  作者：Douglas S. Johnson、Cory Stiff、Scott E. Lazerwith、Suzanne R. Kesten、Lorraine K. Fay、Mark Morris、David Beidler、Marya B. Liimatta、Sarah E. Smith、David T. Dudley、Nalini Sadagopan、Shobha N. Bhattachar、Stephen J. Kesten、Tyzoon K. Nomanbhoy、Benjamin F. Cravatt、Kay Ahn

  DOI：10.1021/ml100190t

  日期：2011.2.10

  Fatty acid amide hydrolase (FAAH) is an integral membrane serine hydrolase that degrades the fatty acid amide family of signaling lipids, including the endocannabinoid anandamide. Genetic or pharmacological inactivation of FAAH leads to analgesic and anti-inflammatory phenotypes in rodents without showing the undesirable side effects observed with direct cannabinoid receptor agonists, indicating that. FAAH may represent an attractive therapeutic target for the treatment of inflammatory pain and other nervous system disorders. Herein, we report the discovery and characterization of a highly efficacious and selective FAAH inhibitor PR-04457845 (23). Compound 23 inhibits FAAH by a covalent, irreversible mechanism involving carbamylation of the active-site serine nucleophile of FAAH with high in vitro potency (k(inact)/K(i) and IC(50) values of 40300 M(-1) s(-1) and 7.2 nM, respectively, for human FAAH). Compound 23 has exquisite selectivity for FAAH relative to other members of the serine hydrolase superfamily as demonstrated by competitive activity-based protein profiling. Oral administration of 23 at 0.1 mg/kg results in efficacy comparable to that of naproxen at 10 mg/kg in a rat model of inflammatory pain. Compound 23 is being evaluated in human clinical trials.
• ACS Med. Chem. Lett. 2011, 2, 91-96
  作者：

  DOI：——

  日期：——
• BIARYL ETHER UREA COMPOUNDS
  申请人：Pfizer Products Inc.

  公开号：EP2076508A2

  公开（公告）日：2009-07-08