2-[(4-Amino-butyl)-phenethyl-amino]-3-methyl-6-pyridin-4-yl-3H-pyrimidin-4-one

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-[(4-Amino-butyl)-phenethyl-amino]-3-methyl-6-pyridin-4-yl-3H-pyrimidin-4-one
• 英文别名: 2-[4-Aminobutyl(2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
• 化学式: C₂₂H₂₇N₅O
• 分子量: 377.489
• InChiKey: ZSTRDIPXJSHMJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氯-3-甲基-6-(4-吡啶)-4(3H)-嘧啶酮 在 盐酸 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-[(4-Amino-butyl)-phenethyl-amino]-3-methyl-6-pyridin-4-yl-3H-pyrimidin-4-one
  参考文献：
  名称：

  6-(4-Pyridyl)pyrimidin-4(3H)-ones as CNS penetrant glycogen synthase kinase-3β inhibitors

  摘要：

  The discovery of a series of 6-(4-pyridyl)pyrimidin-4(3H)-ones derived from a hit compound with low molecular weight and sufficient chemical space is reported. Transformation of substituents led to subnanomolar potent inhibitors with in vivo tau phoshorylation lowering activity. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.09.021

文献信息

• 2-Amino-3-(alkyl)-pyrimidone derivatives as gsk3.beta. inhibitors
  申请人：——

  公开号：US20030187004A1

  公开（公告）日：2003-10-02

  A pyrimidone derivative represented by formula (I) or a salt thereof: 1 Wherein: R1 represents a hydrogen atom or a C 1-6 alkyl group which may be substituted by a C 6,10 aryl group; R2 represents a C 1-10 alkyl group which may be substituted, a C 2-6 alkenyl group which may be substituted, a C 3-6 alkynyl group which may be substituted, a C 3-6 cycloalkyl group which may be substituted, or a C 6-10 ARYL group which may be substituted; or R1 and R2 form together a C 2-6 alkylene group which may be substituted; or R1 and R2 form together a chain of formula —(CH 2 ) 2 —X—(CH 2 ) 2 — or —(CH 2 ) 2 —X—(CH 2 ) 3 — where X represents a oxygen atom, a sulfur atom, or a nitrogen atom which may be substituted; R3 represents a 2, 3 or 4-pyridyl group optionally substituted by a C 1-4 alkyl group, C 1-4 alkoxy group or halogen atom; and R4 represents a C 1-10 alkyl group optionally substituted by a hydroxyl group, amino, C 1-6 monoalkylamino group, C 2-12 dialkylamino group or C 6,10 aryl group which may be substituted. And a medicament comprising the said derivative or a salt thereof as an active ingredient which is used for preventive and/or therapeutic treatment of a neurodegenerative disease caused by abnormal activity of GSK3&bgr; such as Alzheimer's disease.

  一种由化学式（I）表示的吡啶酮衍生物或其盐： 其中： R1代表氢原子或者可能被C6,10芳基取代的C1-6烷基基团； R2代表可能被取代的C1-10烷基基团，可能被取代的C2-6烯基基团，可能被取代的C3-6炔基基团，可能被取代的C3-6环烷基基团，或者可能被取代的C6-10芳基基团； 或者R1和R2一起形成可能被取代的C2-6烷基基团； 或者R1和R2一起形成化学式—(CH2)2—X—(CH2)2—或—(CH2)2—X—(CH2)3—的链，其中X代表可能被取代的氧原子、硫原子或氮原子； R3代表可能被C1-4烷基基团、C1-4烷氧基团或卤原子取代的2,3或4-吡啶基团；以及 R4代表可能被羟基、氨基、C1-6单烷基氨基基团、C2-12二烷基氨基基团或可能被取代的C6,10芳基基团取代的C1-10烷基基团。 以及一种包含上述衍生物或其盐作为活性成分的药物，用于预防和/或治疗由GSK3β异常活性引起的神经退行性疾病，如阿尔茨海默病。
• 2-amino-3-(alkyl)-pyrimidone derivatives
  申请人：Almario Carcia Antonio

  公开号：US20050130998A1

  公开（公告）日：2005-06-16

  A pyrimidone derivative represented by formula (I) or a salt thereof: Wherein: R1 represents a hydrogen atom or a C 1-6 alkyl group which may be substituted by a C 6,10 aryl group; R2 represents a C 1-10 alkyl group which may be substituted, a C 2-6 alkenyl group which may be substituted, a C 3-6 alkynyl group which may be substituted, a C 3-6 cycloalkyl group which may be substituted, or a C 6-10 ARYL group which may be substituted; or R1 and R2 form together a C 2-6 alkylene group which may be substituted; or R1 and R2 form together a chain of formula —(CH 2 ) 2 —X—(CH 2 ) 2 — or —(CH 2 ) 2 —X—(CH 2 ) 3 — where X represents a oxygen atom, a sulfur atom, or a nitrogen atom which may be substituted; R3 represents a 2, 3 or 4-pyridyl group optionally substituted by a C 1-4 alkyl group, C 1-4 alkoxy group or halogen atom; and R4 represents a C 1-10 alkyl group optionally substituted by a hydroxyl group, amino, C 1-6 monoalkylamino group, C 2-12 dialkylamino group or C 6,10 aryl group which may be substituted. And a medicament comprising the said derivative or a salt thereof as an active ingredient which is used for preventive and/or therapeutic treatment of a neurodegenerative disease caused by abnormal activity of GSK3β such as Alzheimer's disease.

  一种由公式（I）表示的吡啶酮衍生物或其盐： 其中： R1代表氢原子或C1-6烷基，该烷基可以被C6,10芳基置换； R2代表C1-10烷基，该烷基可以被置换，C2-6烯基，该烯基可以被置换，C3-6炔基，该炔基可以被置换，C3-6环烷基，该环烷基可以被置换，或C6-10芳基，该芳基可以被置换； 或者R1和R2一起形成可被置换的C2-6烷基； 或者R1和R2一起形成公式—（CH2）2—X—（CH2）2—或—（CH2）2—X—（CH2）3—的链，其中X代表可以被置换的氧原子，硫原子或氮原子； R3代表可选地被C1-4烷基，C1-4烷氧基或卤素原子置换的2、3或4-吡啶基； R4代表可选地被羟基，氨基，C1-6单烷基氨基，C2-12二烷基氨基或C6,10芳基置换的C1-10烷基。 以及一种药物，其中该衍生物或其盐作为活性成分，用于预防和/或治疗由GSK3β异常活动引起的神经退行性疾病，例如阿尔茨海默病。
• 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS
  申请人：SANOFI-SYNTHELABO

  公开号：EP1276738A1

  公开（公告）日：2003-01-22
• ＧＳＫ３．β阻害剤としての２−アミノ−３−（アルキル）−ピリミドン誘導体
  申请人：サノフィ−サンテラボ

  公开号：JP4778657B2

  公开（公告）日：2003-09-24
• US6844335B2
  申请人：——

  公开号：US6844335B2

  公开（公告）日：2005-01-18