2-氨基-1H-苯并咪唑-7-羧酸甲酯 | 910122-42-8

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 2-氨基-1H-苯并咪唑-7-羧酸甲酯
• 中文别名: 2-氨基-1H-苯并咪唑-4-甲酸甲酯
• 英文名称: methyl 2-amino-1H-1,3-benzodiazole-4-carboxylate
• 英文别名: methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate；methyl 2-amino-1H-benzimidazole-4-carboxylate
• CAS: 910122-42-8
• 化学式: C₉H₉N₃O₂
• mdl: MFCD08436207
• 分子量: 191.189
• InChiKey: SAWDEISHFZINBK-UHFFFAOYSA-N

物化性质

• 沸点：
  427.0±37.0 °C(Predicted)
• 密度：
  1.413±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  81
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-氨基-1H-苯并咪唑-7-羧酸甲酯 、 2-Amino-3-nitro-5-pyridin-4-yl-benzoic acid methyl ester 生成 2-amino-6-pyridin-4-yl-1H-benzoimidazole-4-carboxylic acid methyl ester
  参考文献：
  名称：

  Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors

  摘要：

  本发明涉及一种抑制β-淀粉样前体蛋白裂解酶（BACE）的苯并咪唑化合物，可用于治疗或预防BACE参与的疾病，如阿尔茨海默病。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗BACE参与的这些疾病中使用这些化合物和组合物。

  公开号：

  US07893267B2

文献信息

• [EN] NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS UTILES EN TANT QU'INHIBITEURS DE S100
  申请人：ACTIVE BIOTECH AB

  公开号：WO2015177367A1

  公开（公告）日：2015-11-26

  A compound of formula (I) or a pharmaceutically acceptable salt thereof and a pharmaceutical composition comprising the compound. The compound is an inhibitor of interactions between S100A9 and interaction partners such as RAGE, TLR4 and EMMPRIN and as such is useful in the treatment of disorders such as cancer, autoimmune disorders, inflammatory disorders and neurodegenerative disorders.

  式（I）的化合物或其药用盐以及包含该化合物的药物组合物。该化合物是S100A9与相互作用伙伴（如RAGE、TLR4和EMMPRIN）之间相互作用的抑制剂，因此在治疗癌症、自身免疫性疾病、炎症性疾病和神经退行性疾病等疾病方面是有用的。
• Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors
  申请人：Mjalli Adnan M.M.

  公开号：US20090326006A1

  公开（公告）日：2009-12-31

  The present invention is directed to benzazole compounds that inhibit β-site amyloid precursor protein-cleaving enzyme (BACE) and that may be useful in the treatment or prevention of diseases in which BACE is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which BACE is involved.

  本发明涉及抑制β位点淀粉样前体蛋白剪切酶（BACE）的苯并唑化合物，可用于治疗或预防BACE参与的疾病，如阿尔茨海默病。本发明还涉及包含这些化合物的药物组合物，以及在预防或治疗BACE参与的这些疾病中使用这些化合物和组合物的用途。
• Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors
  申请人：Mjalli Adnan M.M.

  公开号：US20110065713A1

  公开（公告）日：2011-03-17

  The present invention is directed to benzazole compounds that inhibit β-site amyloid precursor protein-cleaving enzyme (BACE) and that may be useful in the treatment or prevention of diseases in which BACE is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which BACE is involved.

  本发明涉及一种抑制 β-淀粉样前体蛋白裂解酶（BACE）的苯并咪唑化合物，该化合物可能在治疗或预防包括阿尔茨海默病在内的与BACE有关的疾病中有用。本发明还涉及包含这些化合物的药物组合物以及在预防或治疗BACE参与的这类疾病中使用这些化合物和组合物。
• Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors
  申请人：High Point Pharmaceuticals, LLC

  公开号：US07893267B2

  公开（公告）日：2011-02-22

  The present invention is directed to benzazole compounds that inhibit β-site amyloid precursor protein-cleaving enzyme (BACE) and that may be useful in the treatment or prevention of diseases in which BACE is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which BACE is involved.

  本发明涉及一种抑制β-淀粉样前体蛋白裂解酶（BACE）的苯并咪唑化合物，可用于治疗或预防BACE参与的疾病，如阿尔茨海默病。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗BACE参与的这些疾病中使用这些化合物和组合物。
• Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors
  申请人：High Point Pharmaceuticals, LLC

  公开号：EP2457901A1

  公开（公告）日：2012-05-30

  The present invention is directed to benzazole compounds that inhibit β-site amyloid precursor protein-cleaving enzyme (BACE) and that may be useful in the treatment or prevention of diseases in which BACE is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which BACE is involved.

  本发明涉及抑制β位淀粉样前体蛋白切割酶（BACE）的苯甲唑化合物，这些化合物可用于治疗或预防BACE参与的疾病，如阿尔茨海默病。本发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在预防或治疗涉及 BACE 的此类疾病中的用途。