(9ci)-3-氨基-1H-呋喃并[3,2-c]吡唑-5-羧酸丙酯 | 648412-40-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 中文名称: (9ci)-3-氨基-1H-呋喃并[3,2-c]吡唑-5-羧酸丙酯
• 英文名称: 3-amino-1H-furo[3,2-c]pyrazole-5-carboxylic acid propyl ester
• 英文别名: propyl 3-amino-1H-furo[3,2-c]pyrazole-5-carboxylate；propyl-3-amino-1H-furo[3,2-c]pyrazole-5-carboxylate
• CAS: 648412-40-2
• 化学式: C₉H₁₁N₃O₃
• 分子量: 209.205
• InChiKey: NQKFLHJDXDQFGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  94.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (9ci)-3-氨基-1H-呋喃并[3,2-c]吡唑-5-羧酸丙酯 、 氯甲酸乙酯 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.08h， 生成 3-amino-furo[3,2-c]pyrazole-1,5-dicarboxylic acid 1-ethyl ester 5-propyl ester
  参考文献：
  名称：

  1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors

  摘要：

  本发明揭示了式（I）的Furo[3,2-c]吡唑衍生物及其药学上可接受的盐，如规范中定义的那样，以及其制备方法和包含它们的药物组合物；本发明的化合物在治疗中可能有用，用于治疗与改变的Aurora激酶活性相关的紊乱或病况，如癌症。

  公开号：

  EP2058315A1
• 作为产物：
  描述：

  丙醇 、 methyl 5-cyano-4-[2-(diphenylmethylene)hydrazino]-2-furoate 在 硫酸 作用下， 反应 2.0h， 以62.8%的产率得到(9ci)-3-氨基-1H-呋喃并[3,2-c]吡唑-5-羧酸丙酯
  参考文献：
  名称：

  [EN] HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS
  [FR] DERIVES DE PYRAZOLE HETEROBICYCLIQUES UTILISES COMME INHIBITEURS DE KINASE

  摘要：

  公开了规范中定义的化学式(I)的双环吡唑及其药用盐，其制备方法和包含它们的药物组合物；发明中的化合物可能在治疗中对治疗与蛋白激酶活性失调相关的疾病，如癌症，具有用处。

  公开号：

  WO2004007504A1

文献信息

• Heterobicyclic pyrazole derivatives as kinase inhibitors
  申请人：Tonani Roberto

  公开号：US20060160874A1

  公开（公告）日：2006-07-20

  Bicyclo-pyrazoles of formula (I) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.

  公开了如规范中定义的化学式（I）的双环吡唑及其药用盐，其制备方法以及包含它们的药物组合物；本发明的化合物在治疗中可能有用，用于治疗与异常蛋白激酶活性相关的疾病，如癌症。
• 1H-FURO[3,2-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS
  申请人：Fancelli Daniele

  公开号：US20090239924A1

  公开（公告）日：2009-09-24

  Furo[3,2-c]pyrazole derivatives of formula (I) as defined in the description, and pharmaceutically acceptable salts thereof, wherein A is an aryl or heteroaryl ring, —NHZR 5 is at the ortho position to the CONH linker; —R 1 and R 2 are the same or different and, independently from each other, represent a hydrogen atom, or an organic residue; R 3 is a hydrogen or halogen atom or an organic group; R 4 is a hydrogen or halogen atom or an organic group; Z is direct bond, >C═O, or —C(═O)NH—; —R 5 is hydrogen or an optionally substituted organic group or isomers, tautomers, carriers, metabolites, prodrugs, and pharmaceutically acceptable salts thereof. A process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, in particular Aurora kinases activity or IGF-1R activity, like cancer.

  公式（I）中的Furo[3,2-c]吡唑衍生物，以及其药学上可接受的盐，其中A是芳基或杂环芳基环，—NHZR5位于CONH连接剂的邻位; —R1和R2相同或不同，并且独立地表示氢原子或有机残基; R3是氢或卤素原子或有机基团; R4是氢或卤素原子或有机基团; Z是直接键，>C═O或—C（═O）NH—; —R5是氢或可选择取代的有机基团或其异构体，互变异构体，载体，代谢物，前药和药学上可接受的盐。公开了它们的制备过程和包含它们的制药组合物; 本发明的化合物在治疗与蛋白激酶活性失调相关的疾病中可能有用，特别是在治疗癌症时，如Aurora激酶活性或IGF-1R活性。
• 1H-furo[3,2-C]pyrazole compounds useful as kinase inhibitors
  申请人：Nerviano Medical Sciences S.R.L.

  公开号：US08119641B2

  公开（公告）日：2012-02-21

  Furo[3,2-c]pyrazole derivatives of formula (I) as defined in the description, and pharmaceutically acceptable salts thereof, wherein A is an aryl or heteroaryl ring, —NHZR5 is at the ortho position to the CONH linker; —R1 and R2 are the same or different and, independently from each other, represent a hydrogen atom, or an organic residue; R3 is a hydrogen or halogen atom or an organic group; R4 is a hydrogen or halogen atom or an organic group; Z is direct bond, >C═O, or —C(═O)NH—; —R5 is hydrogen or an optionally substituted organic group or isomers, tautomers, carriers, metabolites, prodrugs, and pharmaceutically acceptable salts thereof. A process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, in particular Aurora kinases activity or IGF-1R activity, like cancer.

  公式（I）中定义的Furo[3,2-c]吡唑衍生物及其药物可接受的盐，其中A是芳基或杂环芳基环，-NHZR5位于CONH连接物的邻位; -R1和R2相同或不同，独立地表示氢原子或有机残基; R3是氢或卤素原子或有机基团; R4是氢或卤素原子或有机基团; Z是直接键，> C = O或-C（= O）NH-; -R5是氢或可选取代的有机基团或其异构体，互变异构体，载体，代谢物，前药和药物可接受的盐。公开了它们的制备过程和包括它们的制药组合物; 发明的化合物在治疗与蛋白激酶活性失调相关的疾病中可能有用，特别是在治疗癌症时与Aurora激酶活性或IGF-1R活性有关。
• HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS
  申请人：Pharmacia Italia S.p.A.

  公开号：EP1534716A1

  公开（公告）日：2005-06-01
• 1H-FURO[3,2-C] PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS
  申请人：NERVIANO MEDICAL SCIENCES S.R.L.

  公开号：EP2051981B1

  公开（公告）日：2010-08-25