3,4,5,6,7,8-Hexahydro-2-hydroxy-7-acetyl-3-[2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl]pyrido[4',3':4,5]thieno[2,3-d]-pyrimidin-4-one | 281657-10-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3,4,5,6,7,8-Hexahydro-2-hydroxy-7-acetyl-3-[2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl]pyrido[4',3':4,5]thieno[2,3-d]-pyrimidin-4-one
• 英文别名: 3,4,5,6,7,8-Hexahydro-2-hydroxy-7-acetyl-3-[2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl]pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-one；11-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione
• CAS: 281657-10-1
• 化学式: C₂₄H₂₉N₅O₄S
• 分子量: 483.591
• InChiKey: RHGAOYHFHROXKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-(2-aminoethyl)-4-(2-methoxyphenyl)piperazine 、 2-carboethoxyamino-3-carboethoxy-6-acetyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine 在 氮气 、 crude product 、 silica gel 、 methanol-dichloromethane 作用下， 反应 2.0h， 生成 3,4,5,6,7,8-Hexahydro-2-hydroxy-7-acetyl-3-[2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl]pyrido[4',3':4,5]thieno[2,3-d]-pyrimidin-4-one
  参考文献：
  名称：

  Utilization of pyrimidine derivatives for preventing and treating cerebral ischaemia

  摘要：

  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。

  公开号：

  US06387912B1

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为氢、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为可选取取代苯基、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、CH2—C2、CH2—C2—CH2或CH2—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。该化合物及其组合物可用作5HT1B和5HT1A拮抗剂，用于治疗抑郁症及相关疾病。
• 3-SUBSTITUIERTE PYRIDO 4',3':4,5] THIENO 2,3-D]PYRIMIDIN-DERIVATE, IHRE HERSTELLUNG UND VERWENDUNG
  申请人：ABBOTT GmbH & Co. KG

  公开号：EP0927184B1

  公开（公告）日：2003-10-22
• US6222034B1
  申请人：——

  公开号：US6222034B1

  公开（公告）日：2001-04-24
• US6387912B1
  申请人：——

  公开号：US6387912B1

  公开（公告）日：2002-05-14
• 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中定义的取代基的嘧啶衍生物，以及它们的生理耐受盐用于生产用于预防和治疗脑缺血和中风的药物。