7-Methanesulfonylamino-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid methyl ester | 133433-79-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 7-Methanesulfonylamino-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid methyl ester
• 英文别名: methyl 7-(methanesulfonamido)-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylate
• CAS: 133433-79-1
• 化学式: C₁₃H₁₈N₂O₄S
• 分子量: 298.363
• InChiKey: HAOYQMLFQHGFIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  92.9
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• NEW CYCLIC ANTHRANILIC ACID DERIVATIVE AND METHOD OF PRODUCING THE SAME
  申请人：KYORIN PHARMACEUTICAL CO., LTD.

  公开号：EP0434844A1

  公开（公告）日：1991-07-03

  Cyclic anthranilic acid derivatives of general formula (I) and acid addition salts and alkali salts thereof, useful for treating rheumatism, autoimmune diseases and metabolic bone diseases, wherein R¹, R² and R³ may be the same of different from one another and each represents hydrogen, halogen, lower (C₁ to C₃) alkyl, lower (C₁ to C₃) alkoxy, amino, nitro, hydroxy, sulfonamide, trifluoromethyl, cyano, carboxyl, carbamoyl, acetyl, optionally substituted benzoylmethyl, methylthio, optionally substituted phenylethynyl, optionally substituted ethynyl, lower (C₁ to C₃) alkanoylamino, optionally substituted benzoylamino, lower (C₁ to C₃) alkylsulfonylamino, or optionally substituted phenylsulfonylamino; R⁴ and R⁵ may be the same or different from each other and each represents hydrogen, lower (C₁ to C₃) alkyl, cyano, carboxyl, hydroxylmethyl, optionally substituted phenyl, or benzyl; R⁶ represents hydrogen, lower (C₁ to C₃) alkyl or benzyl; X represents a single bond, -CHR⁷-CHR⁸-(CHR⁹)m-, -O-CHR⁸-(CHR⁹)m-, -S(O)n-CHR⁸-(CHR⁹)m- or -CO(CHR⁸)p-(CHR⁸)m-; R⁷, R⁸ and R⁹ may be the same or different from one another and each represents hydrogen, lower (C₁ to C₃) alkyl, cyano, carboxyl, hydroxymethyl, or optionally substituted phenyl; m and p are each 0 or 1; and n is an integer of 0 to 2; provided that R² represents neither chlorine nor hydrogen when both of R⁷ and R⁸ are hydrogen atoms and m is 0.

  通式(I)的环状蒽酸衍生物及其酸加成盐和碱式盐，可用于治疗风湿病、自身免疫性疾病和代谢性骨病，其中R¹、R²和R³可以相同也可以不同，各自代表氢、卤素、低级(C₁至C₃)烷基、低级(C₁至C₃)烷氧基、氨基、硝基、羟基、磺酰胺、三氟甲基、氰基、羧基、氨基甲酰基、乙酰基、任选取代的苯甲酰甲基、甲硫基、任选取代的苯乙基、硝基、羟基、磺酰胺基、三氟甲基、氰基、羧基、氨基甲酰基、乙酰基、任选取代的苯甲酰甲基、甲硫基、任选取代的苯乙炔基、任选取代的乙炔基、低级（C₁至 C₃）烷酰氨基、任选取代的苯甲酰氨基、低级（C₁至 C₃）烷基磺酰基氨基或任选取代的苯磺酰基氨基；R⁴ 和 R⁵ 可以相同或互不相同，各自代表氢、低级（C₁ 至 C₃）烷基、氰基、羧基、羟甲基、任选取代的苯基或苄基；R⁶ 代表氢、低级 (C₁ 至 C₃) 烷基或苄基；X 代表单键、-CHR⁸-(CHR⁹)m-、-O-CHR⁸-(CHR⁹)m-、-S(O)n-CHR⁸-(CHR⁹)m- 或 -CO(CHR⁸)p-(CHR⁸)m-；R⁷、R⁸ 和 R𠞙 可以相同或不同，各自代表氢、低级 (C₁ 至 C₃) 烷基、氰基、羧基、羟甲基或任选取代的苯基；当 R⁷ 和 R⁸ 均为氢原子且 m 为 0 时，R² 既不代表氯，也不代表氢。
• US5242912A
  申请人：——

  公开号：US5242912A

  公开（公告）日：1993-09-07