ethyl 1-(4-fluoro-2-methyl-phenyl)-4-hydroxy-pyrazole-3-carboxylate | 1361031-30-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 1-(4-fluoro-2-methyl-phenyl)-4-hydroxy-pyrazole-3-carboxylate
• 英文别名: 1-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester；ethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate
• CAS: 1361031-30-2
• 化学式: C₁₃H₁₃FN₂O₃
• 分子量: 264.256
• InChiKey: UMDZQCKYHGQXDH-UHFFFAOYSA-N

物化性质

• 沸点：
  373.1±42.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  64.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 1-(4-fluoro-2-methyl-phenyl)-4-hydroxy-pyrazole-3-carboxylate 在 水 、 sodium hydride 、 三乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 potassium hydroxide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 19.0h， 生成 N-[5-(6,7-dimethoxyquinolin-4-yl)oxypyridin-2-yl]-1-(4-fluoro-2-methylphenyl)-4-(2,2,2-trifluoroethoxy)pyrazole-3-carboxamide
  参考文献：
  名称：

  [EN] QUINOLINE DERIVATIVES AS TAM RTK INHIBITORS
  [FR] DÉRIVÉS DE QUINOLÉINE UTILISÉS COMME INHIBITEURS DE RTK DE TAM

  摘要：

  本发明涉及一种新型化合物，它们是TAM（Axl、Mer和Tyro 3）和/或Met家族受体酪氨酸激酶（RTKs）的抑制剂。这些化合物适用于治疗与TAM家族受体相关的、伴随的、由其引起的或诱导的疾病，特别是其过度功能。这些化合物适用于治疗高增殖性疾病，如癌症，特别是免疫抑制性癌症、难治性癌症和癌症转移。

  公开号：

  WO2016166250A1
• 作为产物：
  描述：

  ethyl 4-chloro-2-(2-methyl-4-fluorophenyl)azo-3-oxobutanoate 在 potassium acetate 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以18.21 g的产率得到ethyl 1-(4-fluoro-2-methyl-phenyl)-4-hydroxy-pyrazole-3-carboxylate
  参考文献：
  名称：

  芳环连二噁烷并喹唑啉或喹啉类化合物、组合物及其应用

  摘要：

  本发明涉及作为TRK、c‑MET、AXL、MER和/或VEGFR2等激酶的抑制剂的一类新化合物、组合物及其应用。具体地，本发明提供了一类具有强力抑制TRK、c‑MET、AXL、MER和/或VEGFR2等激酶的活性的化合物(如式(1)所示)或其异构体、溶剂化物、水合物、在药学上可接受的盐、前药，及包含所述化合物的药物组合物。本发明还公开了本发明化合物或药物组合物在制备药物中的应用，该药物用于治疗自身免疫疾病或癌症。

  公开号：

  CN111196814B

文献信息

• Pharmaceutically active compounds as Axl inhibitors
  申请人：Lead Discovery Center GmbH

  公开号：EP2423208A1

  公开（公告）日：2012-02-29

  The present invention relates to 1-nitrogen-heterocyclic-2-carboxamides of general formula (I): and/or pharmaceutically acceptable salts thereof, the use of these derivatives as pharmaceutically active agents, especially for the treatment and/or prevention of Axl receptor tyrosine kinase subfamily induced disorders, including cancer and primary tumor metastases, and pharmaceutical compositions containing at least one of said 1-nitrogen-heterocyclic-2-carboxamide derivatives and/or pharmaceutically acceptable salts thereof.

  本发明涉及一般式(I)的1-氮杂环-2-羧酰胺及/或其药学上可接受的盐，这些衍生物作为药理活性剂的用途，特别用于治疗和/或预防Axl受体酪氨酸激酶亚家族引起的疾病，包括癌症和原发性肿瘤转移，以及含有至少一种上述1-氮杂环-2-羧酰胺衍生物和/或其药学上可接受的盐的药物组合物。
• PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS
  申请人：Schultz-Fademrecht Carsten

  公开号：US20140018365A1

  公开（公告）日：2014-01-16

  The present invention relates to 1-nitrogen-heterocyclic-2-carboxamides and/or pharmaceutically acceptable salts thereof, the use of these derivatives as pharmaceutically active agents, especially for the treatment and/or prevention of Axl receptor tyrosine kinase subfamily induced disorders, including cancer and primary tumor metastases, and pharmaceutical compositions containing at least one of said 1-nitrogen-heterocyclic-2-carboxamide derivatives and/or pharmaceutically acceptable salts thereof.

  本发明涉及1-氮杂环-2-羧酰胺和/或其药学上可接受的盐，这些衍生物被用作药物活性剂，特别用于治疗和/或预防Axl受体酪氨酸激酶亚家族引起的疾病，包括癌症和原发性肿瘤转移，以及含有至少一种所述的1-氮杂环-2-羧酰胺衍生物和/或其药学上可接受的盐的制药组合物。
• AROMATIC RING-LINKED DIOXANE-QUINAZOLINE OR -QUINOLINE COMPOUNDS, COMPOSITIONS AND USE THEREOF
  申请人：Beijing Scitech-MQ Pharmaceuticals Limited

  公开号：EP3865487A1

  公开（公告）日：2021-08-18

  Disclosed are a class of compounds as inhibitors of kinases such as TRK, c-MET, AXL, MER and/or VEGFR2, compositions and use thereof. In particular, disclosed are a class of compounds (as shown in formula (1)) or isomers, solvates, hydrates, pharmaceutically acceptable salts, and prodrugs thereof having strong inhibition activities for kinases such as TRK, c-MET, AXL, MER and/or VEGFR2, and pharmaceutical compositions comprising said compounds. Also disclosed is use of the compounds or pharmaceutical compositions in the preparation of a medicament for treating autoimmune diseases or cancers.

  公开了一类作为激酶（如 TRK、c-MET、AXL、MER 和/或 VEGFR2）抑制剂的化合物及其组合物和用途。特别是，公开了一类对激酶如 TRK、c-MET、AXL、MER 和/或 VEGFR2 具有强抑制活性的化合物（如式（1）所示）或其异构体、溶解物、水合物、药学上可接受的盐和原药，以及包含所述化合物的药物组合物。还公开了这些化合物或药物组合物在制备治疗自身免疫性疾病或癌症的药物中的用途。
• QUINOLINE DERIVATIVES AS TAM RTK INHIBITORS
  申请人：Qurient Co. Ltd.

  公开号：EP3286177B1

  公开（公告）日：2020-05-06
• AROMATIC RING-LINKED DIOXINO-QUINAZOLINE OR DIOXINO-QUINOLINE COMPOUNDS, COMPOSITIONS AND USE THEREOF
  申请人：BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED

  公开号：US20220002308A1

  公开（公告）日：2022-01-06

  Disclosed are a class of compounds as inhibitors of kinases such as TRK, c-MET, AXL, MER and/or VEGFR2, compositions and use thereof. In particular, disclosed are a class of compounds (as shown in formula (1)) or isomers, solvates, hydrates, pharmaceutically acceptable salts, and prodrugs thereof having strong inhibition activities for kinases such as TRK, c-MET, AXL, MER and/or VEGFR2, and pharmaceutical compositions comprising said compounds. Also disclosed is use of the compounds or pharmaceutical compositions in the preparation of a medicament for treating autoimmune diseases or cancers.