(2Z)-2-[3-(diethylamino)-2-hydroxypropyl]sulfanyl-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)acetonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: (2Z)-2-[3-(diethylamino)-2-hydroxypropyl]sulfanyl-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)acetonitrile
• 化学式: C₂₀H₂₉N₃O₃S
• 分子量: 391.5
• InChiKey: IZZMPZYNNSUFIK-VXPUYCOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Isoquinoline derivatives
  申请人：CHINOIN Gyògyszer és Vegyészeti Termékek Gyára RT.

  公开号：EP0486211A1

  公开（公告）日：1992-05-20

  The invention relates to novel compounds of the general formula (I), wherein R means hydrogen or a straight or branched chain C1-6alkoxy group ; R1 stands for hydrogen or a straight or branched chain C1-6alkyl group ; R2 represents hydrogen or a straight or branched chain C1-6alkyl group : R3 means hydrogen : a straight or branched chain C1-6alkyl group optionally substituted by one or two hydroxyl and/or one or two straight or branched chain C1-4alkoxy group(s): or a C4-7cycloalkyl group ; R4 stands for hydrogen or a straight or branched chain C1-6alkyl group optionally substituted by one or two hydroxyl and/or one or two straight or branched chain C1-4alkoxy group(s): or a C4-7cycloalkyl group ; or R3 and R4 together with the nitrogen atom, to which they are attached form a 4 to 8-membered cyclic group of formula optionally substituted by one or two straight or branched chain C1-4alkoxy and/or one or two straight or branched chain C1-4alkyl group(s), where optionally an oxygen or sulfur atom or an N-R5 group may be substituted for a ring carbon atom, where R5 means hydrogen or a straight or branched chain C1-6 aliphatic alkyl group, the 4- to 8-membered cycle optionally being condensed with a benzene ring ; R6 stands for hydrogen or a C1-10acyl group and the salts and hydrates thereof as well as pharmaceutical compositions containing these compounds. The compounds of the invention antagonize the effects of constrictive mediators, e.g. histamine, acetylcholine or serotonin ; they show an antiallergic action and possess an antiinflammatory effect. Thus, these compounds can therapeutically be used as bronchodilators as well as antiallergic or antiinflammatory drugs, particularly in the treatment of bronchial asthma.

  本发明涉及通式 (I) 的新型化合物、 其中 R 代表氢或直链或支链 C1-6 烷氧基； R1 代表氢或直链或支链 C1-6 烷基； R2 代表氢或直链或支链 C1-6 烷基： R3 代表氢：可选择被一个或两个羟基和/或一个或两个直链或支链 C1-4 烷氧基取代的直链或支链 C1-6 烷基：或 C4-7 环烷基； R4 代表氢或任选被一个或两个羟基和/或一个或两个直链或支链 C1-4 烷氧基取代的直链或支链 C1-6 烷基：或 C4-7 环烷基；或 R3 和 R4 与它们所连接的氮原子一起形成式中的 4 至 8 元环状基团 可选择被一个或两个直链或支链 C1-4 烷氧基和/或一个或两个直链或支链 C1-4 烷基取代，其中氧原子或硫原子或 N-R5 基团可选择被环碳原子取代，其中 R5 代表氢或直链或支链 C1-6 脂肪族烷基，4-8 元循环可选择与苯环缩合； R6 代表氢或 C1-10 脂肪族烷基 及其盐类和水合物，以及含有这些化合物的药物组合物。 本发明的化合物可拮抗收缩介质（如组胺、乙酰胆碱或血清素）的作用，具有抗过敏作用和抗炎作用。因此，这些化合物在治疗上可用作支气管扩张剂以及抗过敏或抗炎药物，特别是用于治疗支气管哮喘。
• JPH04283567A
  申请人：——

  公开号：JPH04283567A

  公开（公告）日：1992-10-08
• US5179089A
  申请人：——

  公开号：US5179089A

  公开（公告）日：1993-01-12