3-[2-(aminomethyl)-5-chlorophenyl]-4H-1,2,4-oxadiazol-5-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[2-(aminomethyl)-5-chlorophenyl]-4H-1,2,4-oxadiazol-5-one
• 化学式: C₉H₈ClN₃O₂
• 分子量: 225.63
• InChiKey: GJPRQHOJYCAQAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Therapeutic use of aryl amino acid derivatives
  申请人：——

  公开号：US20040138197A1

  公开（公告）日：2004-07-15

  The compounds of formula (I) are useful in the treatment of faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, panic, neuropathic pain, neuropathological disorders and sleep disorders. Processes for the preparation of the final products and intermediates useful in the process are included. Pharmaceutical compositions containing one or more of the compounds are also included. 1 wherein R 1 is H, C 1 -C 6 alkyl or C 3 -C 8 cycloalkyl; X is —(CH 2 ) n —C(R 7 )(R 8 )—; Y is a direct link or —(CH 2 ) m —C(R 9 )(R 10 )—; R 7 , R 8 , R 9 and R 10 are independently H or C 1 -C 6 alkyl; or R 8 and R 1 can be taken together with the nitrogen to which R 1 is attached to form a 4-8-membered heterocycloalkyl ring; or R 10 and R 1 can be taken together with the nitrogen to which R 1 is attached to form a 4-8-membered heterocycloalkyl ring; or R 8 and R 10 can be taken together with the carbons to which they are attached to form a 4-8-membered carbocyclic ring; n is 0, 1 or 2; m is 0, 1 or 2; R 2 , R 3 , R 4 and R 5 are independently selected from H, C 1 -C 6 alkyl, C 1 -C 6 alkoxy, hydroxy, halogen, hydroxycarbonyl, C 1 -C 6 alkoxycarbonyl, cyano, sulfonyl, C 1 -C 6 alkylsulfonyl, thio, C 1 -C 6 alkylthio, sulfonamide, perfluoro-C 1 -C 6 alkyl, perfluoro-C 1 -C 6 alkoxy, C 3 -C 8 cycloalkyl, 4-8 membered heterocycloalkyl, amino, (C 1 -C 6 alkyl or di-C 1 -C 6 alkyl)amino, aminocarbonyl, (C 1 -C 6 alkyl or di-C 1 -C 6 alkyl)aminocarbonyl, C 1 -C 6 acylamino, (N—C 1 -C 6 alkyl)C 1 -C 6 acylamino, phenyl or monocyclic heteroaryl, wherein phenyl and monocyclic heteroaryl are optionally substituted with C 1 -C 6 alkyl, C 1 -C 6 alkoxy, hydroxy, halogen, hydroxycarbonyl, C 1 -C 6 alkoxycarbonyl or perfluoro-C 1 -C 6 alkoxy; or any one or two of CR 2 , CR 3 , CR 4 and CR 5 may be replaced with a nitrogen; or R 2 and R 3 or R 3 and R 4 or R 4 and R 5 may be taken together with the carbons to which they are attached to form fused C 5 -C 8 cycloalkyl, 4-8 membered heterocycloalkyl, phenyl or monocyclic heteroaryl; or R 1 and R 2 can be taken together with the nitrogen to which R 1 is attached to form a 4-8-membered heterocycloalkyl ring; or R 8 and R 2 can be taken together with the carbons to which they are attached to form a 4-8-membered carbocyclic or heterocycloalkyl ring; and R 6 is hydroxycarbonyl or a carboxylic acid biostere or a prodrug thereof.

  式(I)的化合物在治疗晕厥发作、运动减退、头颅疾病、神经退行性疾病、抑郁症、焦虑、恐慌、神经病理性疼痛、神经病理性疾病和睡眠障碍方面有用。包括制备最终产品和在过程中有用的中间体的过程。还包括含有一种或多种化合物的制药组合物。其中，R1为H、C1-C6烷基或C3-C8环烷基；X为—(CH2)n—C(R7)(R8)—；Y为直接连接或—( )m—C(R9)(R10)—；R7、R8、R9和R10独立地为H或C1-C6烷基；或R8和R1可以与R1连接的氮一起形成4-8环杂环烷基环；或R10和R1可以与R1连接的氮一起形成4-8环杂环烷基环；或R8和R10可以与它们连接的碳一起形成4-8环碳杂环烷基环；n为0、1或2；m为0、1或2；R2、R3、R4和R5独立地选自H、C1-C6烷基、C1-C6烷氧基、羟基、卤素、羟基羧酸、C1-C6烷氧羰基、氰基、磺酰基、C1-C6烷基磺酰基、硫基、C1-C6烷基硫基、磺酰胺基、全氟C1-C6烷基、全氟C1-C6烷氧基、C3-C8环烷基、4-8环杂环烷基、氨基、(C1-C6烷基或二-C1-C6烷基)氨基、氨基羧酸、(C1-C6烷基或二-C1-C6烷基)氨基羧酸、C1-C6酰胺基、(N-C1-C6烷基)C1-C6酰胺基、苯基或单环杂芳基，其中苯基和单环杂芳基可选择性地被C1-C6烷基、C1-C6烷氧基、羟基、卤素、羟基羧酸、C1-C6烷氧羰基或全氟C1-C6烷氧基取代；或CR2、CR3、CR4和CR5中的任意一个或两个可以被氮取代；或R2和R3或R3和R4或R4和R5可以与它们连接的碳一起形成融合的C5-C8环烷基、4-8环杂环烷基、苯基或单环杂芳基；或R1和R2可以与R1连接的氮一起形成4-8环杂环烷基环；或R8和R2可以与它们连接的碳一起形成4-8环碳杂环烷基环或杂环烷基环；R6为羟基羧酸或羧酸生物立体异构体或其前药。
• Pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss
  申请人：Coe W. Jotham

  公开号：US20050043406A1

  公开（公告）日：2005-02-24

  Pharmaceutical compositions are disclosed for the treatment of obesity, an overweight condition and compulsive overeating. The pharmaceutical compositions are comprised of a therapeutically effective combination of a nicotinic receptor partial agonist and an alpha2dela ligand and a pharmaceutically acceptable carrier. The method of using these compounds is also disclosed.

  本发明公开了用于治疗肥胖、超重和强迫性暴饮暴食的药物组合物。这些药物组合物由烟碱受体部分激动剂和 alpha2dela 配体的治疗有效组合物以及药学上可接受的载体组成。还公开了使用这些化合物的方法。
• THERAPEUTIC USE OF ARYL AMINO ACID DERIVATIVES
  申请人：Pfizer Limited

  公开号：EP1528919A2

  公开（公告）日：2005-05-11
• A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL
  申请人：Pfizer Products Inc.

  公开号：EP1658058A1

  公开（公告）日：2006-05-24
• A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS
  申请人：Pfizer Products Inc.

  公开号：EP1658059A1

  公开（公告）日：2006-05-24