N-(3-((4aS,5R,7aS)-2-amino-3,5-dimethyl-4-oxo-3,4,4a,5,7,7a-hexahydrofuro[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide | 1262798-90-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(3-((4aS,5R,7aS)-2-amino-3,5-dimethyl-4-oxo-3,4,4a,5,7,7a-hexahydrofuro[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide
• 英文别名: N-[3-[(4aS,5R,7aS)-2-amino-3,5-dimethyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
• CAS: 1262798-90-2
• 化学式: C₂₀H₂₁FN₆O₄
• 分子量: 428.423
• InChiKey: DUHLYQRYFBXMNZ-YZSZRTLCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (2R,3S,4S)-methyl 4-amino-4-(2-fluorophenyl)-2-methyltetrahydrofuran-3-carboxylate 在 palladium 10% on activated carbon (benzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate 、 氢气 、 硝酸 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 149.0h， 生成 N-(3-((4aS,5R,7aS)-2-amino-3,5-dimethyl-4-oxo-3,4,4a,5,7,7a-hexahydrofuro[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide
  参考文献：
  名称：

  [EN] FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES
  [FR] DÉRIVÉS D’AMINODIHYDROPYRIMIDONE CONDENSÉE

  摘要：

  一种由通式（I）表示的化合物或其药用盐或其溶剂化物，其中环A是C6-14芳基或类似物，L是-NReCO-或类似物（其中Re是氢原子或类似物），环B是C6-14芳基或类似物，X是C1-3烷基或类似物，Y是单键或类似物，Z是C1-3烷基或类似物，R1、R2和Rx各自独立地是氢原子或类似物，R3、R4、R5和R6各自独立地是氢原子、卤素原子或类似物，具有Aβ产生抑制作用或BACE1抑制作用，并可用作预防或治疗由Aβ引起的以阿尔茨海默型痴呆为特征的神经退行性疾病的药物。

  公开号：

  WO2011009897A1

文献信息

• FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES
  申请人：Castro Pineiro Jose Luis

  公开号：US20120202828A1

  公开（公告）日：2012-08-09

  A compound represented by the general formula (I) or a pharmaceutically acceptable salt thereof or a solvate thereof, wherein Ring A is a C 6-14 aryl group or the like, L is —NR e CO— or the like (wherein R e is a hydrogen atom or the like), Ring B is a C 6-14 aryl group or the like, X is a C 1-3 alkylene group or the like, Y is a single bond or the like, Z is a C 1-3 alkylene group or the like, R 1 , R 2 and R x are each independently a hydrogen atom or the like, and R 3 , R 4 , R 5 and R 6 are independently a hydrogen atom, a halogen atom or the like, has an Aβ production inhibitory effect or a BACE1 inhibitory effect and is useful as a prophylactic or therapeutic agent for a neurodegenerative disease caused by Aβ and typified by Alzheimer-type dementia.

  化合物的一般式为（I）或其药学上可接受的盐或溶剂，其中环A为C6-14芳基或类似基团，L为-NReCO-或类似基团（其中Re为氢原子或类似物），环B为C6-14芳基或类似基团，X为C1-3烷基或类似基团，Y为单键或类似键，Z为C1-3烷基或类似基团，R1、R2和Rx各自独立地为氢原子或类似物，而R3、R4、R5和R6各自独立地为氢原子、卤素原子或类似物。该化合物具有Aβ产生抑制作用或BACE1抑制作用，并且可用作预防或治疗由Aβ引起的以阿尔茨海默型痴呆为代表的神经退行性疾病的药物。
• Fused aminodihydropyrimidone derivatives
  申请人：Castro Pineiro Jose Luis

  公开号：US09139594B2

  公开（公告）日：2015-09-22

  A compound represented by the general formula (I) or a pharmaceutically acceptable salt thereof or a solvate thereof, wherein Ring A is a C6-14 aryl group or the like, L is —NReCO— or the like (wherein Re is a hydrogen atom or the like), Ring B is a C6-14 aryl group or the like, X is a C1-3 alkylene group or the like, Y is a single bond or the like, Z is a C1-3 alkylene group or the like, R1, R2 and Rx are each independently a hydrogen atom or the like, and R3, R4, R5 and R6 are independently a hydrogen atom, a halogen atom or the like, has an Aβ production inhibitory effect or a BACE1 inhibitory effect and is useful as a prophylactic or therapeutic agent for a neurodegenerative disease caused by Aβ and typified by Alzheimer-type dementia.

  一种由普通公式（I）表示的化合物或其药学上可接受的盐或其溶剂，其中环A是C6-14芳基或类似物，L是—NReCO—或类似物（其中Re是氢原子或类似物），环B是C6-14芳基或类似物，X是C1-3烷基或类似物，Y是单键或类似物，Z是C1-3烷基或类似物，R1、R2和Rx各自独立地是氢原子或类似物，而R3、R4、R5和R6各自独立地是氢原子、卤素原子或类似物，具有Aβ制剂和BACE1抑制剂效应，并可用作预防或治疗由Aβ引起的神经退行性疾病，如阿尔茨海默病等的药物。
• US9139594B2
  申请人：——

  公开号：US9139594B2

  公开（公告）日：2015-09-22
• [EN] FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES<br/>[FR] DÉRIVÉS D’AMINODIHYDROPYRIMIDONE CONDENSÉE
  申请人：EISAI R&D MAN CO LTD

  公开号：WO2011009897A1

  公开（公告）日：2011-01-27

  A compound represented by the general formula (I) or a pharmaceutically acceptable salt thereof or a solvate thereof, wherein Ring A is a C6-14 aryl group or the like, L is -NReCO- or the like (wherein Re is a hydrogen atom or the like), Ring B is a C6-14 aryl group or the like, X is a C1-3 alkylene group or the like, Y is a single bond or the like, Z is a C1-3 alkylene group or the like, R1, R2 and Rx are each independently a hydrogen atom or the like, and R3, R4, R5 and R6 are independently a hydrogen atom, a halogen atom or the like, has an Aβ production inhibitory effect or a BACE1 inhibitory effect and is useful as a prophylactic or therapeutic agent for a neurodegenerative disease caused by Aβ and typified by Alzheimer-type dementia.

  一种由通式（I）表示的化合物或其药用盐或其溶剂化物，其中环A是C6-14芳基或类似物，L是-NReCO-或类似物（其中Re是氢原子或类似物），环B是C6-14芳基或类似物，X是C1-3烷基或类似物，Y是单键或类似物，Z是C1-3烷基或类似物，R1、R2和Rx各自独立地是氢原子或类似物，R3、R4、R5和R6各自独立地是氢原子、卤素原子或类似物，具有Aβ产生抑制作用或BACE1抑制作用，并可用作预防或治疗由Aβ引起的以阿尔茨海默型痴呆为特征的神经退行性疾病的药物。