4-[2-(2,4-dioxo-oxazolidin-3-yl)-ethyl]-1-methyl-pyridinium; iodide | 109042-09-3

• 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: 4-[2-(2,4-dioxo-oxazolidin-3-yl)-ethyl]-1-methyl-pyridinium; iodide
• 英文别名: 4-[2-(2,4-Dioxo-oxazolidin-3-yl)-aethyl]-1-methyl-pyridinium; Jodid；4-[2-(2,4-dioxo-3-oxazolidinyl)ethyl]-1-methylpyridinium iodide；3-[2-(1-Methylpyridin-1-ium-4-yl)ethyl]-1,3-oxazolidine-2,4-dione;iodide
• CAS: 109042-09-3
• 化学式: C₁₁H₁₃N₂O₃*I
• 分子量: 348.14
• InChiKey: LHOKRRUTJPXRJE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.96
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  50.5
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS
  申请人：ABOUABDELLAH Ahmed

  公开号：US20070021426A1

  公开（公告）日：2007-01-25

  The present invention is directed to compounds and compositions for the treatment of neurological diseases that cause neurogenic and neuropathic pain, inflammatory diseases, renal ishaemia, cardiovascular disease and other pathologies caused by the presence of endogenous cannabinoids and or other substrates resulting from the metabolic activities of fatty acid amido hydrolase (FAAH). These compounds are represented by the formula wherein A is selected from the group comprising X, Y or Z, and; X represents a methylene group optionally substituted by one or two C 1-6 -alkyl, C 3-7 -cycloalkyl or C 3-7 -cycloalkyl-C 1-3 -alkylene groups; Y represents either a C 2 -alkenylene group optionally substituted by one or two C 1-6 -alkyl, C 3-7 -cycloalkyl or C 3-7 -cycloalkyl-C 1-3 -alkylene groups; or a C 2 -alkynylene group; Z represents a group of formula: m represents an integer ranging from 1 to 5; p and q represent integers and are defined such that p+q is a number ranging from 1 to 5; n represents an integer ranging from 1 to 7; R 1 represents an R 2 group optionally substituted by one or more R 3 and/or R 4 groups; R 2 represents a group chosen from a pyridyl, pyrimidinyl, pyridazinyl, pyrazinyl, triazinyl, pyrrolyl, furyl, thienyl, imidazolyl, oxazolyl, thiazolyl, pyrazolyl, isoxazolyl, isothiazolyl, oxadiazolyl, thiadiazolyl, triazolyl, tetrazolyl, naphthyl, quinolinyl, tetrahydroquinolinyl, isoquinolinyl, tetrahydroisoquinolinyl, 2-oxo-3,4-dihydroquinolinyl, 1-oxo-3,4-dihydroisoquinolinyl, quinazolinyl, quinoxalinyl, phthalazinyl, cinnolinyl, naphthyridinyl, benzofuranyl, dihydrobenzofuranyl, benzothienyl, dihydrobenzothienyl, indolyl, indolinyl, indazolyl, isoinR 5 R 6 , —O—(C 1-3 -alkylene)-O— or phenyl groups, the phenyl group optionally being substituted by one or more halogen atoms; R 3 represents a group chosen from halogen atoms or cyano, nitro, C 1-6 -alkyl, C 3-7 -cycloalkyl, C 1-6 -alkoxy, hydroxyl, C 1-6 -thioalkyl, C 1-6 -fluoroalkyl, C 1-6 -fluoroalkoxy, C 1-6 -fluorothioalkyl, NR 5 R 6 , NR 5 COR 6 , NR 5 CO 2 R 6 , NR 5 SO 2 R 6 , COR 5 , CO 2 R 5 , CONR 5 R 6 , SO 2 R 5 , SO 2 N. R 4 represents a group chosen from phenyl, phenyloxy, benzyloxy, naphthyl, pyridyl, pyrimidinyl, pyridazinyl or pyrazinyl groups; it being possible for the R 4 group or groups to be substituted by one or more R 3 groups which are identical to or different from one another; R 5 and R 6 represent, independently of one another, a hydrogen atom or a C 1-6 -alkyl group or form, with the atom or atoms which carry them, a ring chosen from an azetidine, pyrrolidine, piperidine, morpholine, thiomorpholine, azepine or piperazine ring, this ring optionally being substituted by a C 1-6 -alkyl or benzyl group; R 7 represents a hydrogen atom or a C 1-6 -alkyl group, and R 8 represents a hydrogen atom or a C 1-6 -alkyl, C 3-7 -cycloalkyl or C 3-7 -cycloalkyl-C 1-3 -alkylene group; a salt thereof, or a hydrate or a solvate of said compound or said salt.

  本发明涉及化合物和组合物，用于治疗引起神经性和神经病理性疼痛、炎症性疾病、肾脏缺血、心血管疾病以及由内源性大麻素和/或脂肪酸酰胺水解酶（FAAH）代谢活动产生的其他底物引起的其他病理。这些化合物由以下式表示：其中A选自包括X、Y或Z的群组；X代表一个亚甲基基团，可选择地被一个或两个C1-6烷基、C3-7环烷基或C3-7环烷基-C1-3-烷基基团取代；Y代表一个C2-烯基基团，可选择地被一个或两个C1-6烷基、C3-7环烷基或C3-7环烷基-C1-3-烷基基团取代；或一个C2-炔基基团；Z代表一个以下式的基团：m代表一个范围从1到5的整数；p和q代表整数，并且定义为p+q为一个范围从1到5的数字；n代表一个范围从1到7的整数；R1代表一个R2基团，可选择地被一个或多个R3和/或R4基团取代；R2代表从吡啶基、嘧啶基、吡啶嗪基、吡嗪基、三嗪基、吡咯基、呋喃基、噻吩基、咪唑基、噁唑基、嘧唑基、异噁唑基、异噻唑基、噁二唑基、噻二唑基、三唑基、四唑基、萘基、喹啉基、四氢喹啉基、异喹啉基、四氢异喹啉基、2-氧代-3,4-二氢喹啉基、1-氧代-3,4-二氢异喹啉基、喹唑啉基、喹喹啉基、邻苯二嗪基、咪唑基、菲啉基、二氢菲啉基、苯并噻吩基、二氢苯并噻吩基、吲哚基、吲哚啉基、吲唑基、异吲哚基、—O—(C1-3-烷基)-O—或苯基，苯基可选择地被一个或多个卤素原子取代的基团；R3代表从卤素原子或氰基、硝基、C1-6烷基、C3-7环烷基、C1-6烷氧基、羟基、C1-6硫代烷基、C1-6氟烷基、C1-6氟烷氧基、C1-6氟硫代烷基、NR5R6、NR5COR6、NR5CO2R6、NR5SO2R6、COR5、CO2R5、CONR5R6、SO2R5、SO2N. R4代表从苯基、苯氧基、苄氧基、萘基、吡啶基、嘧啶基、吡啶嗪基或吡嗪基的基团；R4基团或基团可被一个或多个与之相同或不同的R3基团取代；R5和R6分别代表氢原子或C1-6烷基基团，或与携带它们的原子或原子形成的环中选择的一个环，该环可选择地被一个C1-6烷基或苄基团取代；R7代表氢原子或C1-6烷基基团，R8代表氢原子或C1-6烷基、C3-7环烷基或C3-7环烷基-C1-3-烷基基团；其盐，或所述化合物或所述盐的水合物或溶剂化合物。
• DERIVES D' HETEROARYL-ALKYLCARBAMATES, LEUR PREPARATION ET LEUR APPLICATION COMME INHIBITEURS DE L'ENZYME FAAH
  申请人：Sanofi-Aventis

  公开号：EP1720829B1

  公开（公告）日：2009-10-14
• US7645757B2
  申请人：——

  公开号：US7645757B2

  公开（公告）日：2010-01-12