3-cyano-2-(ethoxymethyleneamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine | 204385-73-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: 3-cyano-2-(ethoxymethyleneamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
• 英文别名: 2-Ethoxymethyleneamino-3-cyano-6-methyl-4, 5,6,7-tetrahydrothieno[2,3-c]pyridine；ethyl N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)methanimidate
• CAS: 204385-73-9
• 化学式: C₁₂H₁₅N₃OS
• 分子量: 249.337
• InChiKey: XZWUIISYMCVLKK-UHFFFAOYSA-N

物化性质

• 熔点：
  110 °C(Solvent: Ethanol)
• 沸点：
  428.9±45.0 °C(predicted)
• 密度：
  1.24±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-cyano-2-(ethoxymethyleneamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以55%的产率得到3-amino-4-imino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine
  参考文献：
  名称：

  El-Sherbeny; Youssef; Al-Shafeih, Medicinal Chemistry Research, 2000, vol. 10, # 2, p. 122 - 135

  摘要：

  DOI：
• 作为产物：
  描述：

  N-甲基-4-哌啶酮 以 乙醇 为溶剂， 反应 8.0h， 生成 3-cyano-2-(ethoxymethyleneamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
  参考文献：
  名称：

  El-Sherbeny; Youssef; Al-Shafeih, Medicinal Chemistry Research, 2000, vol. 10, # 2, p. 122 - 135

  摘要：

  DOI：

文献信息

• 3-substituted pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine derivatives, their preparation and their use
  申请人：BASF Aktiengesellschaft

  公开号：US06222034B1

  公开（公告）日：2001-04-24

  A 3-substituted 3,4,5,6,7,8-hexahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine compound of formula I wherein R1 is hydrogen, C1-C4-alkyl, acetyl or benzoyl, optionally substituted phenyl-C1-C4-alkyl, naphthyl-C1-C3-alkyl, phenyl-C2-C3-alkanone or a phenylcarbamoyl-C2-alkyl, R2 is optionally substituted phenyl, pyridyl, pyrimidyl or pyrazinyl, or an optionally substituted bicyclus wherein one of the two fused rings is a phenyl, a pyridyl, a pyrimidyl or a pyrazinyl ring, A is NH or oxygen, B is hydrogen or methyl, C is hydrogen, methyl or hydroxyl, X is nitrogen, Y is CH2, CH2—C2, CH2—C2—CH2 or CH2—CH, Z is nitrogen, C or CH, and the linkage between Y and Z is a single or a double bond, and n is 2, 3 or 4, or a physiologically tolerated salt thereof, and compositions comprising them and their use as antagonists of 5HT1B and 5HT1A and for the treatment of depression and related disorders.

  化合物I的式子为：其中R1是氢、C1-C4烷基、乙酰基或苯甲酰基，可选取取代苯基-C1-C4烷基、萘基-C1-C3烷基、苯基-C2-C3酮或苯基氨甲酰-C2烷基；R2是可选取取代苯基、吡啶基、嘧啶基或吡嗪基，或一个其中一个融合环为苯基、吡啶基、嘧啶基或吡嗪基的可选取取代的双环；A为NH或氧；B为氢或甲基；C为氢、甲基或羟基；X为氮；Y为CH2、 —C2、 —C2— 或 —CH；Z为氮、C或CH，且Y和Z之间的连接为单键或双键；n为2、3或4；或其生理耐受的盐；以及包含它们的组成物和它们作为5HT1B和5HT1A拮抗剂及治疗抑郁症和相关疾病的用途。
• Utilization of pyrimidine derivatives for preventing and treating cerebral ischaemia
  申请人：BASF Aktiengesellschaft

  公开号：US06387912B1

  公开（公告）日：2002-05-14

  Use of pyrimidine derivatives of the formula I where the substituents are as defined in the description, and of their physiologically tolerated salts for producing medicaments for the prophylaxis and treatment of cerebral ischemia and strokes.

  使用公式I中所定义的取代基和其生理耐受性盐，制备药物用于预防和治疗脑缺血和中风。