5-[4-[(1,4-benzodioxan-2-yl)methylamino]butyl]-2-methyl-5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-4-one | 769890-87-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 5-[4-[(1,4-benzodioxan-2-yl)methylamino]butyl]-2-methyl-5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-4-one
• 英文别名: 5-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(methyl)amino]butyl]-2-methyl-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one
• CAS: 769890-87-1
• 化学式: C₂₂H₂₈N₂O₃S
• 分子量: 400.542
• InChiKey: ORJMDCMURNZBDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.2
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Fused thiophene compounds and uses thereof
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP0465254A1

  公开（公告）日：1992-01-08

  A fused thiophene compound of the formula: or a pharmaceutically acceptable acid addition salt thereof. In the above formula, one of E¹, E² and E³ is sulfur atom and other two of them are C-R¹ and C-R² respectively. R¹ and R² are the same or different and each is hydrogen, halogen, nitro, amino, cyano, hydroxyl, formyl, alkyl, alkoxy, haloalkyl, arylalkyl, acyl, alkoxyalkyl, acyloxyalkyl, hydroxyalkyl, acyloxyalkanoyl, alkoxyalkanoyl, hydroxyalkanoyl, aryloxyalkanoyl, haloalkanoyl, alkylthio, alkylsulfinyl, alkylsulfonyl, arylthio, arylsulfinyl, arylsulfonyl, hydroxysulfonyl, halosulfonyl, sulfamoyl, substituted sulfamoyl, carboxyl, acylamino, alkoxycarbonyl, carbamoyl, substituted carbamoyl or substituted amino. D is -CH₂- or -S(0)m- (m is 0, 1 or 2). Q is straight or branched chain alkylene. T is primary amino, secondary amino or tertiary amino. A and B are the same or different and each is carbonyl or thiocarbonyl, or one of A and B is absent and the other of them is carbonyl or thiocarbonyl, or A is -CH₂- and B is carbonyl or thiocarbonyl, and n is 1, 2 or 3 with the proviso that n is 2 or 3 when one of A and B is absent and the other of them is carbonyl or thiocarbonyl, and n is 1 or 2 when A and B are other combinations. In the above definitions, (hetero)aromatic ring and heterocyclic ring may optionally be substituted by 1 to 3 substituents. Said compounds have selective affinity for 5-HT1A receptor, or high affinity for 5-HT1A and dopamine D₂ receptors so that they are useful as antianxietic drug, antipsychotic drug or drug for the disease of circulatory system. The intermediates for said fused thiophene compounds are also disclosed.

  式中的熔融噻吩化合物： 或其药学上可接受的酸加成盐。在上式中，E¹、E² 和 E³ 中的一个为硫原子，另外两个分别为 C-R¹ 和 C-R²。R¹ 和 R² 相同或不同，各自为氢、卤素、硝基、氨基、氰基、羟基、甲酰基、烷基、烷氧基、卤代烷基、芳基烷基、酰基、烷氧基烷基、酰氧基烷基、羟基烷基、酰氧基烷酰基、烷氧基烷酰基、羟基烷酰基、芳氧基烷酰基、卤代烷酰基、烷硫基、烷基亚磺酰基、烷基磺酰基、芳硫基、芳基亚磺酰基、芳基磺酰基、羟基磺酰基、卤代磺酰基、氨基磺酰基、取代的氨基磺酰基、羧基、酰氨基、烷氧羰基、氨基甲酰基、取代的氨基甲酰基或取代的氨基。D 是-CH₂- 或-S(0)m-（m 是 0、1 或 2）。Q 是直链或支链亚烷基。T 是伯氨基、仲氨基或叔氨基。A 和 B 相同或不同，且各自为羰基或硫代羰基，或 A 和 B 之一不存在，且它们中的另一个为羰基或硫代羰基，或 A 为-CH₂-，B 为羰基或硫代羰基，且 n 为 1、2 或 3，但条件是当 A 和 B 之一不存在，且它们中的另一个为羰基或硫代羰基时，n 为 2 或 3，而当 A 和 B 为其他组合时，n 为 1 或 2。在上述定义中，（杂）芳环和杂环可任选被 1 至 3 个取代基取代。上述化合物对 5-HT1A 受体具有选择性亲和力，或对 5-HT1A 和多巴胺 D₂ 受体具有高亲和力，因此可用作抗焦虑药、抗精神病药或治疗循环系统疾病的药物。还公开了上述融合噻吩化合物的中间体。
• US5141930A
  申请人：——

  公开号：US5141930A

  公开（公告）日：1992-08-25