4-[3-[(6-Chloropyrimidin-4-yl)amino]propanoylamino]benzoic acid

• 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: 4-[3-[(6-Chloropyrimidin-4-yl)amino]propanoylamino]benzoic acid
• 化学式: C₁₄H₁₃ClN₄O₃
• 分子量: 320.73
• InChiKey: LRNRQXWKBKMXQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Synthesis and methods of use of pyrimidine analogues and derivatives
  申请人：——

  公开号：US20030055249A1

  公开（公告）日：2003-03-20

  A pyrimidine derivative or analogue comprises an amino-substituted six-membered heterocyclic moiety, moiety A, linked through a linker L to a moiety B, where B is a carboxylic acid, a carboxylic acid ester, or a moiety of the structure N(Y 1 )-D, where Y 1 can be one of a variety of substituents, including hydrogen or alkyl, and D is a moiety that enhances the pharmacological effects, promotes absorption, or promotes blood-brain barrier penetration of the derivative or analogue. The moiety A can have two or three nitrogen atoms in the ring; typically, the moiety A is a pyrimidine moiety, with two nitrogen atoms in the ring. The moiety B can be one of a variety of moieties, including moieties having nootropic activity or other biological or physiological activity.

  一种嘧啶衍生物或类似物包括一种氨基取代的六元杂环基团A，通过连接物L连接到一种基团B，其中B是一种羧酸、羧酸酯，或结构为N(Y1)-D的基团，其中Y1可以是多种取代基之一，包括氢或烷基，D是一种增强药理效应、促进吸收或促进血脑屏障穿透的基团。基团A的环中可以有两个或三个氮原子；通常，基团A是一种嘧啶基团，环中有两个氮原子。基团B可以是多种基团之一，包括具有智力活性或其他生物学或生理活性的基团。
• Synthesis and methods of use pyrimidine analogues and derivatives
  申请人：——

  公开号：US20040116453A1

  公开（公告）日：2004-06-17

  A pyrimidine derivative or analogue comprises an amino-substituted six-membered heterocyclic moiety, moiety A, linked through a linker L to a moiety B, where B is a carboxylic acid, a carboxylic acid ester, or a moiety of the structure N(Y 1 )-D, where Y 1 can be one of a variety of substituents, including hydrogen or alkyl, and D is a moiety that enhances the pharmacological effects, promotes absorption, or promotes blood-brain barrier penetration of the derivative or analogue. The moiety A can have two or three nitrogen atoms in the ring; typically, the moiety A is a pyrimidine moiety, with two nitrogen atoms in the ring. The moiety B can be one of a variety of moieties, including moieties having nootropic activity or other biological or physiological activity.

  一种嘧啶衍生物或类似物包括一个氨基取代的六元杂环基团A，通过连接基L与基团B相连，其中B是羧酸，羧酸酯或结构为N（Y1）-D的基团，其中Y1可以是多种取代基之一，包括氢或烷基，D是增强衍生物或类似物的药理效应，促进吸收或促进血脑屏障穿透的基团。基团A可以在环中有两个或三个氮原子；通常，基团A是嘧啶基团，环中有两个氮原子。基团B可以是多种基团之一，包括具有神经保护活性或其他生物或生理活性的基团。
• Methods for treatment of disease-induced peripheral neuropathy and related conditions
  申请人：Spectrum Pharmaceuticals, Inc.

  公开号：EP1790344A2

  公开（公告）日：2007-05-30

  The use of a compound of formula (I) in the manufacture of a medicament for the treatment of peripheral neuropathy. The compound can induce peripheral nerve sprouting through the action of a neurotrophic factor such as nerve growth factor (NGF) without the occurrence of hyperalgesia. The peripheral nerve sprouting can be nociceptive nerve sprouting.

  将式（I）化合物用于制造治疗周围神经病变的药物。该化合物可通过神经生长因子（NGF）等神经营养因子的作用诱导周围神经萌发，而不会出现痛觉减退。外周神经萌发可以是痛觉神经萌发。
• Methods for stimulation of synthesis of synaptophysin in the central nervous system
  申请人：——

  公开号：US20020040032A1

  公开（公告）日：2002-04-04

  A method of increasing the synthesis and/or secretion of synaptophysin comprises administering to a patient with a neurological disease or a patient at risk of developing a neurological disease an effective quantity of a purine derivative or analogue, a tetrahydroindolone derivative or analogue, or a pyrimidine derivative or analogue. If the compound is a purine derivative, the purine moiety can be guanine or hypoxanthine. The neurological disease can be a neurodegenerative disease such as Alzheimer's disease or a neurodevelopmental disorder such as Down's syndrome. Typically, the compound can pass through the blood-brain barrier. The purine moiety can be hypoxanthine or guanine. A particularly preferred purine derivative is N-4-carboxyphenyl-3-(6-oxohydropurin-9-yl) propanamide.

  一种增加突触素合成和/或分泌的方法包括向神经系统疾病患者或有患神经系统疾病风险的患者施用有效量的嘌呤衍生物或类似物、四氢吲哚酮衍生物或类似物或嘧啶衍生物或类似物。如果化合物是嘌呤衍生物，嘌呤分子可以是鸟嘌呤或次黄嘌呤。神经系统疾病可以是神经退行性疾病，如阿尔茨海默病，也可以是神经发育障碍，如唐氏综合征。通常情况下，化合物可以通过血脑屏障。嘌呤分子可以是次黄嘌呤或鸟嘌呤。一种特别优选的嘌呤衍生物是 N-4-羧基苯基-3-（6-氧代氢嘌呤-9-基）丙酰胺。
• Methods for prevention of accumulation of amyloid beta peptide in the central nervous system
  申请人：——

  公开号：US20020040031A1

  公开（公告）日：2002-04-04

  A method of either inhibiting the formation of A&bgr; or stimulating the formation of sAPP comprises administering to a patient with a neurological disease or a patient at risk of developing a neurological disease an effective quantity of a purine derivative or analogue, a tetrahydroindolone derivative or analogue, or a pyrimidine derivative or analogue. If the compound is a purine derivative, the purine moiety can be guanine or hypoxanthine. The neurological disease can be a neurodegenerative disease such as Alzheimer's disease or a neurodevelopmental disorder such as Down's syndrome. Typically, the compound can pass through the blood-brain barrier. The purine moiety can be hypoxanthine or guanine. A particularly preferred purine derivative is N-4-carboxyphenyl-3-(6-oxohydropurin-9-yl) propanamide.

  一种抑制 A&bgr 形成或刺激 sAPP 形成的方法包括向神经系统疾病患者或有患神经系统疾病风险的患者施用有效量的嘌呤衍生物或类似物、四氢吲哚酮衍生物或类似物或嘧啶衍生物或类似物。如果化合物是嘌呤衍生物，嘌呤分子可以是鸟嘌呤或次黄嘌呤。神经系统疾病可以是神经退行性疾病，如阿尔茨海默病，也可以是神经发育障碍，如唐氏综合征。通常情况下，化合物可以通过血脑屏障。嘌呤分子可以是次黄嘌呤或鸟嘌呤。一种特别优选的嘌呤衍生物是 N-4-羧基苯基-3-（6-氧代氢嘌呤-9-基）丙酰胺。