4-Cyano-2H-pyrazole-3-carboxylic acid ethyl ester | 318497-88-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-Cyano-2H-pyrazole-3-carboxylic acid ethyl ester
• 英文别名: 4-cyano-1H-pyrazole-5-carboxylic acid ethyl ester；ethyl 4-cyano-1H-pyrazole-5-carboxylate
• CAS: 318497-88-0
• 化学式: C₇H₇N₃O₂
• mdl: MFCD00664125
• 分子量: 165.151
• InChiKey: COJOZBXPRZQJLK-UHFFFAOYSA-N

物化性质

• 熔点：
  226-228℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  78.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Cyano-2H-pyrazole-3-carboxylic acid ethyl ester 在 偶氮二甲酸二异丙酯 、 溴 、 三苯基膦 、 sodium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 19.0h， 生成 tert-butyl (3R)-3-(3-bromo-4-cyano-5-ethoxycarbonylpyrazol-1-yl)piperidine-1-carboxylate
  参考文献：
  名称：

  [EN] AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS
  [FR] COMPOSÉS AMINOPYRIDAZINONE À UTILISER EN TANT QU'INHIBITEURS DE PROTÉINES KINASES

  摘要：

  本公开提供了一种化合物的公式(I)，以及其在治疗人类癌症包括B细胞淋巴瘤和自身免疫性疾病如类风湿性关节炎、系统性红斑狼疮和多发性硬化症中的用途。

  公开号：

  WO2016007185A1

文献信息

• Pyrazole-derivatives as factor Xa inhibitors
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1433788A1

  公开（公告）日：2004-06-30

  The present invention relates to compounds of the formula I, in which R0 ; R1 ; R2 ; R3 ; R4; Q; V, G and M have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及式I的化合物，其中R0；R1；R2；R3；R4；Q；V，G和M具有索赔中指示的含义。式I的化合物是有价值的药理活性化合物。它们表现出强烈的抗血栓作用，例如，适用于治疗和预防心血管疾病，如血栓栓塞疾病或再狭窄。它们是血凝酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可应用于因子Xa和/或因子VIIa的不良活性存在的情况，或者用于治疗或预防需要抑制因子Xa和/或因子VIIa的情况。此外，本发明涉及式I化合物的制备方法，它们的使用，特别是作为药物活性成分以及含有它们的药物制剂。
• PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS
  申请人：NAZARE Marc

  公开号：US20100010045A1

  公开（公告）日：2010-01-14

  The present invention is directed to a compound of formula I, in which R 0 ; R 1 ; R 2 ; R 3 ; R 4 ; Q; V, G and M have the meanings indicated below. The compound of formula I is a pharmacologically active compound. It exhibits a strong anti-thrombotic effect and is suitable, for example, for the therapy and prophylaxis of a cardio-vascular disorder like a thromboembolic disease or restenosis. It is a reversible inhibitor of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is intended. The invention furthermore is directed to a process for the preparation of the compound of formula I, and pharmaceutical preparation comprising it.

  本发明涉及一种化合物I，其中R0; R1; R2; R3; R4; Q; V，G和M具有下面指示的含义。化合物I是一种药理活性化合物。它表现出强烈的抗血栓作用，适用于治疗和预防心血管疾病，如血栓栓塞性疾病或再狭窄。它是血凝酶酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可应用于存在因子Xa和/或因子VIIa不良活性的情况或预防因子Xa和/或因子VIIa抑制剂治疗或预防的情况。此外，本发明还涉及一种制备化合物I的方法和包含它的药物制剂。
• Pyrazole-derivatives as factor xa inhibitors
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1479678A1

  公开（公告）日：2004-11-24

  The present invention relates to compounds of the formula I, in which R0 ; R1 ; R2 ; R3 ; R4; Q; V, G and M have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及式 I 的化合物、 其中 R0 ; R1 ; R2 ; R3 ; R4; Q; V, G 和 M 具有权利要求中所述的含义。式 I 的化合物是具有药理活性的宝贵化合物。它们具有很强的抗血栓作用，适用于治疗和预防血栓栓塞性疾病或再狭窄等心血管疾病。它们是血液凝固酶 Xa 因子 (FXa) 和/或 VIIa 因子 (FVIIa) 的可逆抑制剂，一般可用于 Xa 因子和/或 VIIa 因子存在不良活性的情况，或用于治疗或预防 Xa 因子和/或 VIIa 因子。本发明还涉及式 I 化合物的制备工艺、其用途（尤其是作为药物的活性成分）以及包含它们的药物制剂。
• Aminopyridazinone compounds as protein kinase inhibitors
  申请人：Jiangsu Hengrui Medicine Co., Ltd.

  公开号：US10323037B2

  公开（公告）日：2019-06-18

  The present disclosure provides a compound of formula (I) and the use thereof for the therapeutic treatment of human cancers including B-cell lymphoma and autoimmune diseases such as rheumatoid arthritis, systemic lupus erythematosus, and multiple sclerosis.

  本公开提供了一种式（I）化合物及其在人类癌症（包括 B 细胞淋巴瘤）和自身免疫性疾病（如类风湿性关节炎、系统性红斑狼疮和多发性硬化症）治疗中的用途。
• PYRAZOLE-DERIVATIVES AS FACTOR XA INHIBITORS
  申请人：Sanofi-Aventis Deutschland GmbH

  公开号：EP1581523B1

  公开（公告）日：2009-09-30