2-(Butylamino)-3-methylpentanoic acid | 6964-49-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(Butylamino)-3-methylpentanoic acid
• CAS: 6964-49-4
• 化学式: C₁₀H₂₁NO₂
• 分子量: 187.28
• InChiKey: IHCWFFPGAOZJBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• 7-and 8-substituted -10,11-dihydro-11-oxodibenzo (b,f) thiepin derivatives, their production and their parmaceutical compositions
  申请人：Merck & Co., Inc.

  公开号：EP0000978A1

  公开（公告）日：1979-03-07

  The invention provides 7- und 8-R-dibenzo[b,f]thiepin derivatives of formula: in which n is 0 or an integer from 1 to 4; Z is thio, sulfinyl, or sulfonyl; R is hydrogen, halogen, amino, C,4 alkyl, C1-4 alkanoyl, hydroxyl, C1-4 alkoxy, mercapto, C1-4 alkylthio, C1-4 alkylsulfinyl, C1-4 alkylsulfonyl, trifluormethyl, trifluoromethylthio, cyano, carboxy, nitro, C1-4 alkylamino or di(C1-4 alkyl)amino; A is 5-tetrazolyl, 3-hydroxy-1,2,5-thia- diazol-4-yl, 4-hydroxy-2,5-dioxo-Δ3-pyrrolin-3-y or where R2 is hydroxy, C1-4 alkoxy, N,N-di(C1-4 alkyl)-amino-(C1-4 alkoxy), C,4 hydroxyalkoxy, carboxy-(C1-4 alkoxy), amino, C1-4 alkylamino, di(C1-4 alkyl)amino, C1-4 alkylsulfonylamino, carboxy(C1-4 alkyl)amino, carbamoyl-(C1-4 alkyl)amino or 2-imino-3-methylthiazolidine with the proviso that R2 is not hydroxy when n is 0 und R is hydrogen; and the pharmaceutically acceptable salts thereof. These compounds can be used in the treatment and control of allergic conditions such as allergic asthma and pharmaceutical compositions containing the compounds and methods of making the compounds are also provided.

  本发明提供了式 7-和 8-R-二苯并[b,f]硫杂卓衍生物： 其中 n 为 0 或 1 至 4 的整数；Z 为硫代、亚磺酰基或磺酰基；R 为氢、卤素、氨基、C,4 烷基、C1-4 烷酰基、羟基、C1-4 烷氧基、巯基、C1-4 烷硫基、C1-4 烷基亚磺酰基、C1-4 烷基磺酰基、三氟甲基、三氟甲硫基、氰基、羧基、硝基、C1-4 烷氨基或二(C1-4 烷基)氨基；A 是 5-四唑基、3-羟基-1,2,5-噻二唑-4-基、4-羟基-2,5-二氧代-Δ3-吡咯啉-3-基，或 其中 R2 是羟基、C1-4 烷氧基、N,N-二（C1-4 烷基）-氨基-（C1-4 烷氧基）、C,4 羟基烷氧基、羧基-（C1-4 烷氧基）、氨基、C1-4 烷基氨基、二（C1-4 烷基）氨基、C1-4 烷基磺酰基氨基、羧基（C1-4 烷基）氨基、氨基甲酰基（C1-4 烷基）氨基或 2-亚氨基-3-甲基噻唑烷，但当 n 为 0 和 R 为氢时，R2 不是羟基；及其药学上可接受的盐类。这些化合物可用于治疗和控制过敏性疾病，如过敏性哮喘，还提供了含有这些化合物的药物组合物和制造这些化合物的方法。
• Prostaglandin antagonists, their production and their pharmaceutical compositions
  申请人：Merck & Co., Inc.

  公开号：EP0011067A1

  公开（公告）日：1980-05-28

  The invention provides 7- and 8-R-dibenzo[b,f]- thiepin derivatives of formula : in which n is O or an integer from 1 to 4; Z is thio, sulfinyl, or sulfonyl; R is hydrogen, halogen, amino, C1-4 alkyl, C1-4 alkanoyl, hydroxyl, C1-4 alkoxy, mercapto, C1-4 alkylthio, C1-4 alkylsulfinyl, C1-4 alkylsulfonyl, trifluoromethyl, trifluoromethylthio, cyano, carboxy, nitro, C1-4 alkylamino or di(C1-4 alkyl)amino; A is 5-tetrazolyl, 3-hydroxy-1,2,5-thiadiazol-4-yl, 4-hydroxy-2,6-dioxo-Δ'-pyrrolidin-3-yl or where R2 is hydroxy, C1-4 alkoxy, N,N-di(C1-4 alkyl)amino-(C1-4 alkoxy), C1-4 hydroxyalkoxy, carboxy-(C1-4 alkoxy), amino, C1-4 alkylamino, di(C1-4 alkyl)amino, C1-4 alkylsulfonylamino, carboxy(C1-4 alkyl)amino, carbamoyl(C1-4 alkyllamino or 2-imino-3-methylthiazolidine and the dotted line indicates either an olefinic bond orsaturation at the 10,11-position; and the pharmaceutically acceptable salts thereof. These compounds can be used in the treatment and control of allergic conditions such as allergic asthma and pharmaceutical compositions containing the compounds and methods of making the compounds are also provided.

  本发明提供了式 7-和 8-R-二苯并[b,f]-硫杂卓衍生物： 其中 n 为 O 或 1 至 4 的整数；Z 为硫代、亚磺酰基或磺酰基；R 为氢、卤素、氨基、C1-4 烷基、C1-4 烷酰基、羟基、C1-4 烷氧基、巯基、C1-4 烷硫基、C1-4 烷基亚磺酰基、C1-4 烷基磺酰基、三氟甲基、三氟甲基硫代、氰基、羧基、硝基、C1-4 烷基氨基或二(C1-4 烷基)氨基；A 是 5-四唑基、3-羟基-1,2,5-噻二唑-4-基、4-羟基-2,6-二氧代-Δ'-吡咯烷-3-基或 其中 R2 是羟基、C1-4 烷氧基、N,N-二(C1-4 烷基)氨基-(C1-4 烷氧基)、C1-4 羟基烷氧基、羧基-(C1-4 烷氧基)、氨基、C1-4 烷基氨基、二(C1-4 烷基)氨基、C1-4 烷基磺酰氨基、(C1-4-烷基)氨基、二(C1-4-烷基)氨基、C1-4-烷基磺酰基氨基、羧基(C1-4-烷基)氨基、氨基甲酰基(C1-4-烷基氨基)或 2-亚氨基-3-甲基噻唑烷；及其药学上可接受的盐类。这些化合物可用于治疗和控制过敏性疾病，如过敏性哮喘，还提供了含有这些化合物的药物组合物和制造这些化合物的方法。
• Novel dibenzoxepins, their preparation, compositions containing them and the use of dibenzoxepins in the treatment of allergic conditions
  申请人：Merck & Co., Inc.

  公开号：EP0069810A1

  公开（公告）日：1983-01-19

  6,11-dihydrodibenz[b,e]oxepins of formula: in which R2 and R3 are hydrogen, halogen, CF3 or various N-, O- or S- attached substituents; R4 is hydrogen or various N-, O- or S- attached substituents and R5 is hydrogen or C1-4 alkyl, or R4 and R5 are together oxo, methylene or aryl-substituted methylene; and R1 is 5-tetrazolyl, 3-hydroxy-1,2,5-thiadiazol-4-yl, 4-hydroxy-Δ3- pyrroline-2,5-dione-3-yl or where R6 is certain O- or N-attached residues, including hydroxy and 2-imino-3-methylthiazolidine, are useful in treating disease, particularly allergic diseases such as asthma. To this end they may be made up into pharmaceutical compositions. Certain of the compounds are novel. The compounds are made by various routes, depending on the nature of the substituents.

  式中的 6,11-二氢二苯并[b,e]氧杂卓类： 其中 R2 和 R3 是氢、卤素、CF3 或各种 N-、O-或 S-相连的取代基；R4 是氢或各种 N-、O-或 S-相连的取代基，R5 是氢或 C1-4 烷基，或 R4 和 R5 一起是氧代、亚甲基或芳基取代的亚甲基；R1 是 5-四唑基、3-羟基-1,2,5-噻二唑-4-基、4-羟基-Δ3-吡咯啉-2,5-二酮-3-基或： R6 是某些 O-或 N-相连的残基，包括羟基和 2-亚氨基-3-甲基噻唑啉基。 其中 R6 是某些 O- 或 N-相连的残基，包括羟基和 2-亚氨基-3-甲基噻唑烷，可用于治疗疾病，特别是哮喘等过敏性疾病。为此，可将它们制成药物组合物。某些化合物是新型的。 根据取代基的性质，这些化合物可以通过不同的途径制成。
• 6H-dibenz (b,e)(1,4)oxathiepin compounds
  申请人：Merck & Co., Inc.

  公开号：EP0157963A1

  公开（公告）日：1985-10-16

  Novel 6H-dibenz [b, e] [1, 4] oxathiepin derivatives of the formulae I and la are employed in the treatment and control of allergic conditions such as allergic asthma.

  式 I 和 la 的新型 6H-二苯并[b，e] [1, 4] 氧硫杂环戊烷衍生物可用于治疗和控制过敏性疾病，如过敏性哮喘。
• HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS
  申请人：AstraZeneca AB

  公开号：EP1599471B1

  公开（公告）日：2008-05-28