4-aminobenzamidinium acetate | 125772-53-4

• 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-aminobenzamidinium acetate
• 英文别名: Acetic acid;4-aminobenzenecarboximidamide
• CAS: 125772-53-4
• 化学式: C₂H₄O₂*C₇H₉N₃
• 分子量: 195.221
• InChiKey: IVFXMMRZJZRGHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.64
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  113
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-aminobenzamidine dihydrochloride 以100%的产率得到
  参考文献：
  名称：

  KRECHL, JIRI;SMRCKOVA, SVATAVA;PAVLIKOVA, FRANTISKA;KUTHAN, JOSEF, COLLECT. CZECHOSL. CHEM. COMMUN., 54,(1989) N, C. 2415-2424

  摘要：

  DOI：

文献信息

• Aminophenyl pyrimidone derivatives
  申请人：SANOFI-SYNTHELABO

  公开号：EP1136485A1

  公开（公告）日：2001-09-26

  The invention relates to a pyrimidone derivative represented by formula (I) or a salts thereof: wherein: n is 0 or 1, W represents a bond, a carbonyl group -C(O)- or a a sulfonyl group -S(O)2-; * When W represents a carbonyl group -C(O)- then R1 represents a hydrogen atom, a C1-6 alkyl group which may be substituted, a C6,10 aryl group which may be substituted or a heterocyclic ring having 1-4 hetero atoms selected from oxygen atom, sulfur atom, and nitrogen atom, having total ring-constituting atoms of 5-10 and being optionally substituted, * When W represents a sulfonyl group -S(O)2-, R1 represents a C1-6 alkyl group which may be substituted, a C6,10 aryl group which may be substituted or a heterocyclic ring having 1-4 hetero atoms selected from oxygen atom, sulfur atom, and nitrogen atom, having total ring-constituting atoms of 5-10 and being optionally substituted; * When W represents a bond then n is 0 and R1 represents a hydrogen atom or a C1-6 alkyl group, R2 represents a hydrogen atom or a C1-6 alkyl group which may be substituted by an optionally substituted phenyl group; and R3 represents a pyridyl ring optionally substituted by a C1-4 alkyl group, C1-4 alkoxy group or a halogen atom. The invention relates also to 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, Parkinson's disease, frontoparietal dementia, corticobasal degeneration, Pick's disease, cerebrovascular accidents, brain and spinal trauma, and peripheral neuropathies.

  该发明涉及一种由式（I）表示的嘧啶酮衍生物或其盐：其中：n为0或1，W代表键合，羰基-C（O）-或磺酰基-S（O）2-；* 当W代表羰基-C（O）-时，R1表示氢原子，可能被取代的C1-6烷基，可能被取代的C6,10芳基或具有1-4个异原子（氧原子、硫原子和氮原子）的杂环环，总环构成原子数为5-10且可选地取代；* 当W代表磺酰基-S（O）2-时，R1表示可能被取代的C1-6烷基，可能被取代的C6,10芳基或具有1-4个异原子（氧原子、硫原子和氮原子）的杂环环，总环构成原子数为5-10且可选地取代；* 当W代表键合时，n为0且R1表示氢原子或C1-6烷基，R2表示氢原子或可能被可选取代的苯基取代的C1-6烷基；R3表示可能被C1-4烷基，C1-4烷氧基或卤原子取代的吡啶环。该发明还涉及一种包含所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、帕金森病、额顶痴呆、皮克病、脑血管意外、脑脊髓创伤和周围神经病变。
• Krechl, Jiri; Smrckova, Svatava; Pavlikova, Frantiska, Collection of Czechoslovak Chemical Communications, 1989, vol. 54, # 9, p. 2415 - 2424
  作者：Krechl, Jiri、Smrckova, Svatava、Pavlikova, Frantiska、Kuthan, Josef

  DOI：——

  日期：——
• [EN] AMINOPHENYL PYRIMIDONE DERIVATIVES<br/>[FR] DERIVES D'AMINOPHENYL PYRIMIDONE
  申请人：SANOFI SYNTHELABO

  公开号：WO2001070726A1

  公开（公告）日：2001-09-27

  The invention relates to a pyrimidone derivative represented by formula (I) or a salts thereof, wherein: n is 0 or 1, W represents a bond, a carbonyl group -C(O)- or a sulfonyl group -S(O)2-; when W represents a carbonyl group -C(O)- then R1 represents a hydrogen atom, a C1-16 alkyl group which may be substituted, a C6,10 aryl group which may be substituted or a heterocyclic ring having 1-4 hetero atoms selected from oxygen atom, sulfur atom, and nitrogen atom, having total ring-constituting atoms of 5-10 and being optionally substituted, when W represents a sulfonyl group -S(O)2-, R1 represents a C¿1-6? alkyl group which may be substituted, a C6,10 aryl group which may be substituted or a heterocyclic ring having 1-4 hetero atoms selected from oxygen atom, sulfur atom, and nitrogen atom, having total ring-constituting atoms of 5-10 and being optionally substituted; when W represents a bond then n is 0 and R1 represents a hydrogen atom or a C1-6 alkyl group, R2 represents a hydrogen atom or a C1-6 alkyl group which may be substituted by an optionally substituted phenyl group; and R3 represents a pyridyl ring optionally substituted by a C1-4 alkyl group, C1-4 alkoxy group or a halogen atom. The invention relates also to 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.