methyl 3-[p-(δ-N-acetylaminovaleryl)phenyl]-propionate | 82086-09-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 3-[p-(δ-N-acetylaminovaleryl)phenyl]-propionate
• 英文别名: Methyl 3-[4-(5-acetamidopentanoyl)phenyl]propanoate
• CAS: 82086-09-7
• 化学式: C₁₇H₂₃NO₄
• 分子量: 305.374
• InChiKey: CYQXVSBXHLHAMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  72.5
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Aminocarboxylic acids, amino alcohols, or the derivatives thereof, processes for production thereof, and pharmaceutical composition, containing at least one of these compounds
  申请人：TEIJIN LIMITED

  公开号：EP0044541A1

  公开（公告）日：1982-01-27

  A compound represented by the following formula wherein R1 represents a hydrogen atom, an acyl group or an alkoxycarbonyl group; X1 represents an alkylene group having 3 to 6 carbon atoms, a 1,4-cyclohexylene group, or a 1,4-phenylene group, the alkylene group may be substituted by an alkyl group having 1 to 6 carbon atoms, and the 1,4-phenylene group may be substituted by 1 or 2 substituents selected from halogen atoms and alkoxy groups having 1 to 6 carbon atoms; R2 represents a hydrogen atom or a hydroxyl group and R3 represents hydrogen atom, or R2 and R3 together may form an oxo group (=0), and when X1 is other than the 1,4-phenylene group, R2 represents a hydrogen atom and R3 represents a bond between the carbon atom to which R3 is bonded and that carbon atom of X1 which is adjacent to said carbon atom; X2 represents an alkylene group having 1 to 5 carbon atoms which may be substituted by an alkyl group having 1 to 6 carbon atoms or an amino group; and R4 represents the group -COOR5, -CH2OR6 or -CONR7R8 in which R5 represents a hydrogen atom or an alkyl group having 1 to 6 carbon atoms, R6 represents a hydrogen atom or an acyl group having 1 to 6 carbon atoms, and R7 and RB are identical or different and represent a hydrogen atom or an alkyl group having 1 to 6 carbon atoms or taken together may form a 5- or 6- membered ring; or an acid addition salts of said compound wherein R1 represents a hydrogen atom or X2 represents an alkylene group having an amino group, or a salts of said compound wherein R5 represents a hydrogen atom. The compound represented by the above formula or its pharmaceutically acceptable salt is useful as an anti-ulcer agent. The present invention also provides a process for producing the compound or its pharmaceutically acceptable salt, which comprises acylating a protected derivative at the amino group of a corresponding acid halide with a corresponding substituted benzene in the presence of a Lewis acid; or reducing a corresponding compound in the presence of an inert solvent under conditions which induce reduction of the carbonyl group of said corresponding compound without substantially reducing the phenylene group of said corresponding compound; or dehydrating a corresponding compound.

  下式所代表的化合物 其中 R1 代表氢原子、酰基或烷氧基羰基；X1 代表具有 3 至 6 个碳原子的亚烷基、1,4-环己烯基或 1,4- 苯基，亚烷基可被具有 1 至 6 个碳原子的烷基取代，而 1,4- 苯基可被 1 或 2 个选自卤素原子和具有 1 至 6 个碳原子的烷氧基的取代基取代；R2 代表氢原子或羟基，R3 代表氢原子，或 R2 和 R3 可共同形成一个氧代基团 (=0)，当 X1 不是 1，4-亚苯基时，R2 代表氢原子，R3 代表 R3 键合的碳原子与 X1 中与所述碳原子相邻的碳原子之间的键；X2 代表具有 1 至 5 个碳原子的亚烷基，该亚烷基可被具有 1 至 6 个碳原子的烷基或氨基取代；以及 R4 代表基团-COOR5、-CH2OR6 或-CONR7R8，其中 R5 代表氢原子或具有 1 至 6 个碳原子的烷基，R6 代表氢原子或具有 1 至 6 个碳原子的酰基，R7 和 RB 相同或不同，且代表氢原子或具有 1 至 6 个碳原子的烷基，或合在一起可形成一个 5 或 6 个成员的环； 或上述化合物的酸加成盐，其中 R1 代表氢原子或 X2 代表具有氨基的亚烷基；或上述化合物的盐，其中 R5 代表氢原子。 上式所代表的化合物或其药学上可接受的盐可用作抗溃疡剂。 本发明还提供了一种生产上述化合物或其药学上可接受的盐的工艺，该工艺包括在路易斯酸存在下，用相应的取代苯在相应的酸卤化物的氨基上酰化受保护的衍生物；或在惰性溶剂存在下，在诱导还原所述相应化合物的羰基而不实质上还原所述相应化合物的亚苯基的条件下还原相应化合物；或使相应化合物脱水。
• US4402975A
  申请人：——

  公开号：US4402975A

  公开（公告）日：1983-09-06