3-(3-(4-Cyanobutylthio)-1,2,5-thiadiazol-4-yl)-1,2,5,6-tetrahydro-1-methylpyridine

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-(3-(4-Cyanobutylthio)-1,2,5-thiadiazol-4-yl)-1,2,5,6-tetrahydro-1-methylpyridine
• 英文别名: 5-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]pentanenitrile
• 化学式: C₁₃H₁₈N₄S₂
• 分子量: 294.445
• InChiKey: BQWINSBQAYHHGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• Combination therapy for treatment of psychoses
  申请人：——

  公开号：US20040023951A1

  公开（公告）日：2004-02-05

  The invention provides combination therapy comprising a first component which is a typical antipsychotic or an atypical antipsychotic and a second component which is a muscarinic agonist for the treatment of psychoses and other disorders.

  这项发明提供了一种联合治疗方案，包括一个第一成分，它是典型抗精神病药或非典型抗精神病药，和一个第二成分，它是一种肌动蛋白受体激动剂，用于治疗精神病和其他疾病。
• Method for treating anxiety using a tetrahydropyridine or azabicyclic oxadiazole or thiadiazole compound
  申请人：ELI LILLY AND COMPANY

  公开号：EP0709095A2

  公开（公告）日：1996-05-01

  The present invention provides a method for treating anxiety in humans using heterocyclic compounds as listed in Claim 1.

  本发明提供了一种使用权利要求 1 所列杂环化合物治疗人类焦虑症的方法。
• Method for treating anxiety using a tetrahydropyridine oxadiazole or thiadiazole compound
  申请人：ELI LILLY AND COMPANY

  公开号：EP0709094A2

  公开（公告）日：1996-05-01

  The present invention provides the use of a compound wherein Z1 is oxygen or sulphur; R is hydrogen, halogen, amino, -NHCO-R, C₃₋₇-cycloalkyl, C₄₋₁₀-(cycloalkylalkyl), -Z-C₃₋₇-cycloalkyl optionally substituted with C₁₋₆-alkyl, -Z-C₄₋₁₀-(cycloalkylalkyl), -Z-C₄₋₁₀-(cycloalkenylalkyl), -Z-C₄₋₁₀-(methylenecycloalkyl-alkyl), -NH-R2, -NR2R3, -NH-OR2, phenyl, phenoxy, benzoyl, benzyloxycarbonyl, tetrahydronaphtyl, indenyl, X, R, -ZR, -SOR, -SO₂R, -Z-R-Z³-R³, -Z-R-Z³-R³-Z⁴-R⁴, -Z-RCO-R³, -Z-R-CO₂-R³, Z-R-O₂C-R³, -Z-R-CONH-R³, -Z-R-NHCOR³, -Z-R-X, -Z-R-Z³-X, wherein Z, Z³, and Z⁴ independently are oxygen or sulphur, and R, R³ and R⁴ independently are straight or branched C₁₋₁₅-alkyl, straight or branched C₂₋₁₅-alkenyl, straight or branched C₂₋₁₅-alkynyl, each of which is optionally substituted with halogen(s), -OH, -CN, -CF₃, -SH, -COOH, -NH-R, -NRR³, C₁₋₆alkyl ester, one or two phenyl, phenoxy, benzoyl or benzyloxycarbonyl wherein each aromatic group is optionally substituted with one or two halogen, -CN, C₁₋₄-alkyl or C₁₋₄-alkoxy, and X is a 5 or 6 membered heterocyclic group containing one to four N, O or S atom(s) or a combination thereof, which heterocyclic group is optionally substituted at carbon or nitrogen atom(s) with straight or branched C₁₋₆-alkyl, phenyl, benzyl or pyridine, or a carbon atom in the heterocyclic group together with an oxygen atom form a carbonyl group, or which heterocyclic group is optionally fused with a phenyl group; and R⁵ and R⁶ may be present at any position, including the point of attachment of the thiadiazole or oxadiazole ring, and independently are hydrogen, straight or branched C₁₋₅-alkyl, straight or branched C₂₋₅-alkenyl, straight or branched C₂₋₅-alkynyl, straight or branched C₁₋₁₀-alkoxy, straight or branched C₁₋₅-alkyl substituted with -OH, -OH, halogen, -NH₂ or carboxy; R¹ is hydrogen, straight or branched C₁₋₅-alkyl, straight or branched C₂₋₅-alkenyl or straight or branched C₂₋₅-alkynyl; or a pharmaceutically acceptable salt or solvate thereof; for the manufacture of a medicament for the treatment of anxiety.

  本发明提供了一种化合物的用途 其中 Z1 是氧或硫； R是氢、卤素、氨基、-NHCO-R、C₃₋₇-环烷基、C₄₋₁₀-(环烷基烷基)、-Z-C₃₋₇-环烷基任选被C₁₋₆-烷基取代、-Z-C₄₋₁₀-(环烷基烷基)、-Z-C₄₋₁₀-(环烯基)、-Z-C₄₋₁₀-(亚甲基环烷基)、-NH-R2、-NR2R3、-NH-OR2、苯基、苯氧基、苯甲酰基、苄氧羰基、四氢萘基、茚基、X、R、-ZR、-SOR、-SO₂R、-Z-R-Z³-R³、-Z-R-Z³-R³-Z⁴-R⁴、-Z-RCO-R³、-Z-R-CO₂-R³、Z-R-O₂C-R³、-Z-R-CONH-R³、-Z-R-NHCOR³、-Z-R-X、-Z-R-Z³-X，其中 Z、Z³、和 Z⁴ 独立地为氧或硫，而 R、R³ 和 R⁴ 独立地为直链或支链 C₁₋₁₅-烷基、直链或支链 C₂₋₁₅- 烷基、直链或支链 C₂₋₁₅- 烷炔基、其中每个都可选地被卤素、-OH、-CN、-CF₃、-SH、-COOH、-NH-R、-NRR³、C₁₋₆烷基酯、一个或两个苯基、苯氧基、苯甲酰基或苄氧基取代、苯甲酰基或苄氧羰基，其中每个芳香基团可任选被一个或两个卤素、-CN、C₁₋₄-烷基或 C₁₋₄-烷氧基取代，且 X 是含有 1 至 4 个 N、O 或 S 原子的 5 或 6 位杂环基团、O 或 S 原子或其组合，该杂环基团的碳原子或氮原子可选择被直链或支链 C₁₋₆-烷基、苯基、苄基或吡啶取代，或该杂环基团中的碳原子与氧原子一起形成羰基，或该杂环基团可选择与苯基融合；和 R⁵ 和 R⁶ 可出现在任何位置，包括噻二唑或噁二唑环的连接点，且各自为氢、直链或支链 C₁₋₅-烷基、直链或支链 C₂₋₅- 烷基、直链或支链 C₂₋₅- 烷炔基、直链或支链 C₁₋₁₀-烷氧基、被 -OH、-OH、卤素、-NH₂ 或羧基取代的直链或支链 C₁₋₅ 烷基；R¹ 是氢、直链或支链 C₁₋₅-烷基、直链或支链 C₂₋₅-烯基或直链或支链 C₂₋₅-炔基；或 其药学上可接受的盐或溶液；用于制造治疗焦虑症的药物。
• HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE
  申请人：NOVO NORDISK A/S

  公开号：EP0544756A1

  公开（公告）日：1993-06-09
• 1,2,5,6-TETRAHYDRO-1-METHYLPYRIDINES, THEIR PREPARATION AND USE
  申请人：NOVO NORDISK A/S

  公开号：EP0544756B1

  公开（公告）日：1997-11-05