2-Benzyl-3-oxoazetidine-1-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 英文名称: 2-Benzyl-3-oxoazetidine-1-carboxylic acid
• 英文别名: 2-benzyl-3-oxoazetidine-1-carboxylic acid
• 化学式: C₁₁H₁₁NO₃
• 分子量: 205.21
• InChiKey: CUYQNUZROPZYOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• [EN] SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS<br/>[FR] DÉRIVÉS D'AZÉTIDINE SUBSTITUÉS EN TANT QUE LIGANDS DE TAAR
  申请人：HOFFMANN LA ROCHE

  公开号：WO2016030310A1

  公开（公告）日：2016-03-03

  The present invention relates to a compound of formula I wherein R1 is hydrogen, methoxy or fluoro; R2/R2' are independently from each other hydrogen, methoxy or fluoro; R3/R4 are independently from each other hydrogen or halogen; R is hydrogen or fluoro; L1 is -CH2-, -NR'-, -0-, -S-, CF2- or CH=; R' is hydrogen or lower alkyl; L2 is a bond, -C(0)NH-, -NH-, -CH2NHC(O)-, -NHC(O)- or -NHC(0)NH-; R is hydrogen, halogen, lower alkoxy, cyano or is phenyl optionally substituted by one or more substituents, selected from halogen, lower alkyl substituted by halogen or lower alkoxy, or is a five or six membered heteroaryl, selected from pyridinyl, pyrimidinyl, pyrazinyl, pyridazinyl or pyrazolyl, which heteroaryls are optionally substituted by one or more substituents, selected from halogen, lower alkyl, lower alkoxy, cyano, cycloalkyl, lower alkyl substituted by halogen, lower alkoxy substituted by halogen or by phenyl substituted by halogen; N is a ring nitrogen atom in position 1 or 2; or to a pharmaceutically suitable acid addition salt thereof. The compounds of formulas I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1 and may be used for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders.

  本发明涉及一种具有以下式I的化合物，其中R1是氢、甲氧基或氟；R2/R2'分别独立地是氢、甲氧基或氟；R3/R4分别独立地是氢或卤素；R是氢或氟；L1是-CH2-、-NR'-、-O-、-S-、CF2-或CH=；R'是氢或较低的烷基；L2是键、-C(0)NH-、-NH-、- NHC(O)-、-NHC(O)-或-NHC(0)NH-；R是氢、卤素、较低的烷氧基、氰基或是苯环，可以选择性地被一个或多个取代基取代，所述取代基选自卤素、被卤素或较低的烷氧基取代的较低烷基、或是被卤素取代的苯环，或是一个五元或六元杂环芳基，选自吡啶基、嘧啶基、吡嗪基、吡啶嗪基或吡唑基，这些杂环芳基可以选择性地被一个或多个取代基取代，所述取代基选自卤素、较低的烷基、较低的烷氧基、氰基、环烷基、被卤素取代的较低烷基、被卤素取代的较低烷氧基或被卤素取代的苯基；N是1或2位置的环氮原子；或其药学上适宜的酸盐。式I的化合物对痕量胺相关受体(TAARs)具有良好的亲和力，特别是对TAAR1，可用于治疗抑郁症、焦虑症、双相情感障碍、注意缺陷多动障碍(ADHD)、与压力有关的障碍、如精神分裂症、帕金森病等神经疾病、阿尔茨海默病等神经退行性疾病、癫痫、偏头痛、高血压、物质滥用和代谢障碍，如进食障碍、糖尿病、糖尿病并发症、肥胖症、血脂异常、能量消耗和吸收障碍、体温稳态障碍、睡眠和昼夜节律障碍以及心血管疾病的治疗。
• [EN] BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES<br/>[FR] DÉRIVÉS DE BENZOXAZINONE UTILES EN TANT QU'HERBICIDES
  申请人：REDAG CROP PROT LTD

  公开号：WO2019020987A1

  公开（公告）日：2019-01-31

  The present invention relates to compounds which are of use in the field of agriculture as herbicides. The compounds in question are of formula II and comprise a spirofused tricycle core: wherein R4 and R5 together with the carbon atom to which they are attached form a cyclic group.

  本发明涉及一种在农业领域作为除草剂使用的化合物。所涉及的化合物属于公式II，并包括一个螺合三环核心：其中R4和R5与它们附着的碳原子一起形成一个环状基团。
• Substituted azetidine derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US10023559B2

  公开（公告）日：2018-07-17

  The present invention relates to compounds of formula of formula I wherein R, R1. R2, R2′, R3, R4, R5, L1, L2 and N are as described herein, compositions containing compounds of formula I, methods of manufacture of compounds of formula I and methods of treating psychiatric, metabolic, cardiovascular or sleep disorders with compounds of formula I.

  本发明涉及式 I 的化合物，其中 R、R1.R2、R2′、R3、R4、R5、L1、L2和N如本文所述；含有式I化合物的组合物；式I化合物的制造方法；以及用式I化合物治疗精神、代谢、心血管或睡眠障碍的方法。
• Benzoxazinone derivatives useful as herbicides
  申请人：REDAG CROP PROTECTION LTD

  公开号：US11261177B2

  公开（公告）日：2022-03-01

  The present invention relates to compounds which are of use in the field of agriculture as herbicides. The compounds in question are of formula II and comprise a spirofused tricycle core: wherein R4 and R5 together with the carbon atom to which they are attached form a cyclic group.

  本发明涉及在农业领域用作除草剂的化合物。所述化合物如式 II 所示，包含一个螺烷基三环核心：其中 R4 和 R5 与它们所连接的碳原子一起形成一个环状基团。
• SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP3186224A1

  公开（公告）日：2017-07-05