5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid | 1402447-01-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
• CAS: 1402447-01-1
• 化学式: C₆H₅F₃N₂O₂
• mdl: MFCD26685597
• 分子量: 194.113
• InChiKey: AHUBQVNLBWQHPZ-UHFFFAOYSA-N

物化性质

• 沸点：
  334.4±42.0 °C(Predicted)
• 密度：
  1.574±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  66
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  tert-butyl 3-(methylamino)-2-(2,2,2-trifluoroacetyl)but-2-enoate 在 一水合肼 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 12.0h， 生成 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
  参考文献：
  名称：

  氟代烷基取代的吡唑-4-羧酸的多克合成

  摘要：

  3-（甲基氨基）丁-2-烯酸叔丁酯与氟化乙酸酐的酰化发生在烯胺碳原子上。所得的 3-(甲基氨基)-2-(RFCO)but-2-enoates 叔丁酯与烷基肼的反应产生了异构吡唑的混合物，这些混合物很容易通过柱色谱分离。以多克规模获得目标氟化吡唑-4-羧酸。

  DOI：

  10.1002/ejoc.201403295

文献信息

• [EN] AMIDE COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF<br/>[FR] COMPOSÉS AMIDES, COMPOSITIONS ET APPLICATIONS DE CEUX-CI
  申请人：ADVINUS THERAPEUTICS LTD

  公开号：WO2013042139A1

  公开（公告）日：2013-03-28

  The present disclosure relates to substituted amide compounds that are inhibitors of Fatty Acid Amide Hydrolase (FAAH), their stereoisomers, tautomers, prodrugs, polymorphs, solvates, pharmaceutically acceptable salts, and pharmaceutical compositions containing them. These compounds are useful in the treatment, prevention, prophylaxis, management, or adjunct treatment of all medical conditions related to inhibition of Fatty Acid Amide Hydrolase (FAAH), such as pain including acute and post operative pain, chronic pain, cancer pain, cancer chemotherapy induced pain, neuropathic pain, nociceptive pain, inflammatory pain, back pain, pain due to disease of various origin such as: diabetic neuropathy, neurotropic viral disease including human immunodeficient virus (HIV), herpes zoster such as post herpetic neuralgia; polyneuropathy, neurotoxicity, mechanical nerve injury, carpal tunnel syndrome, immunologic mechanisms like multiple sclerosis; sleep disorders, anxiety and depression disorders, inflammatory disorders, weight and eating disorders, Parkinson's disease, addiction, spasticity, hypertension or other disorders. The disclosure also relates to the process of preparation of the amide compounds. Formula (1). The present disclosure also relates to methods for the preparation of such compounds, and to pharmaceutical compositions containing them.

  本公开涉及替代酰胺化合物，这些化合物是脂肪酸酰胺水解酶（FAAH）的抑制剂，包括它们的立体异构体、互变异构体、前药、多型体、溶剂合物、药用盐以及含有它们的药物组合物。这些化合物在治疗、预防、预防、管理或辅助治疗与脂肪酸酰胺水解酶（FAAH）抑制相关的所有医疗状况中非常有用，例如疼痛，包括急性和术后疼痛，慢性疼痛，癌症疼痛，癌症化疗引起的疼痛，神经痛，伤害性疼痛，炎症性疼痛，背部疼痛，疾病引起的疼痛，如糖尿病性神经病变，神经病毒性疾病，包括人类免疫缺陷病毒（HIV），带状疱疹，如带状疱疹后神经痛；多发性神经病，神经毒性，机械神经损伤，腕管综合症，类似多发性硬化的免疫机制；睡眠障碍，焦虑和抑郁症，炎症性疾病，体重和进食障碍，帕金森病，成瘾，痉挛，高血压或其他疾病。该公开还涉及酰胺化合物的制备过程。公式（1）。本公开还涉及制备这类化合物的方法，以及含有它们的药物组合物。
• [EN] KCNT1 INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS DE KCNT1 ET PROCÉDÉS D'UTILISATION
  申请人：PRAXIS PREC MEDICINES INC

  公开号：WO2020227101A1

  公开（公告）日：2020-11-12

  The present invention is directed to, in part, compounds and compositions useful for preventing and/or treating a neurological disease or disorder, a disease or condition relating to excessive neuronal excitability, and/or a gain-of-function mutation in a gene (e.g., KCNT1). Methods of treating a neurological disease or disorder, a disease or condition relating to excessive neuronal excitability, and/or a gain-of-function mutation in a gene such as KCNT1 are also provided herein.

  本发明部分涉及用于预防和/或治疗神经系统疾病或紊乱、与过度神经元兴奋性有关的疾病或病况，以及基因（例如KCNT1）中的功能增强突变的化合物和组合物。本文还提供了治疗神经系统疾病或紊乱、与过度神经元兴奋性有关的疾病或病况，以及基因如KCNT1中的功能增强突变的方法。
• PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS
  申请人：Andrews Mark David

  公开号：US20120258950A1

  公开（公告）日：2012-10-11

  The present invention relates to compounds of Formula (I) and their pharmaceutically acceptable salts, wherein the substituents are as described herein, and their use in medicine, in particular as Trk antagonists.

  本发明涉及式(I)化合物及其药学上可接受的盐，其中取代基如本文所述，并且它们在医学上的用途，特别是作为Trk拮抗剂。
• Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors
  申请人：Andrews Mark David

  公开号：US08846698B2

  公开（公告）日：2014-09-30

  The present invention relates to compounds of Formula (I) and their pharmaceutically acceptable salts, wherein the substituents are as described herein, and their use in medicine, in particular as Trk antagonists.

  本发明涉及式(I)化合物及其药学上可接受的盐，其中取代基如本文所述，并且它们在医学上的用途，特别是作为Trk拮抗剂。
• [EN] DIACYLGLYERCOL KINASE MODULATING COMPOUNDS<br/>[FR] COMPOSÉS MODULANT LES DIACYLGLYCÉROL KINASES
  申请人：GILEAD SCIENCES INC

  公开号：WO2022271684A1

  公开（公告）日：2022-12-29

  The application relates to diacylglycerol kinase modulating compounds of the general Formula (I), and pharmaceutical compositions thereof, for treating cancer, including solid tumors, and viral infections, such as HIV or hepatitis B virus infection. The compounds can be used alone or in combination with other agents formula (I).

  该申请涉及一般式（I）的二酰基甘油酰基激酶调节化合物及其制药组合物，用于治疗癌症，包括实体肿瘤和病毒感染，如HIV或乙型肝炎病毒感染。这些化合物可以单独使用或与其他I类药物联合使用。