methyl 2-methylsulfanylthiazole-5-carboxylate | 1352443-06-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 2-methylsulfanylthiazole-5-carboxylate
• 英文别名: Methyl 2-(methylthio)thiazole-5-carboxylate；methyl 2-methylsulfanyl-1,3-thiazole-5-carboxylate
• CAS: 1352443-06-1
• 化学式: C₆H₇NO₂S₂
• 分子量: 189.259
• InChiKey: HMSQNFHTTVGCDE-UHFFFAOYSA-N

物化性质

• 沸点：
  297.8±32.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  92.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2-methylsulfanylthiazole-5-carboxylate 在 sodium tungstate (VI) dihydrate 、 lithium hydroxide monohydrate 、 水 、 双氧水 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 2.17h， 生成 2-(methylsulfonyl)thiazole-5-carboxylic acid
  参考文献：
  名称：

  [EN] KCNT1 INHIBITORS AND METHODS OF USE
  [FR] INHIBITEURS DE KCNT1 ET PROCÉDÉS D'UTILISATION

  摘要：

  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症状，以及基因中的功能增强突变（例如，KCNT1）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症状，以及基因中的功能增强突变（如KCNT1）的方法。

  公开号：

  WO2020227097A1
• 作为产物：
  描述：

  2-溴噻唑-5-甲酸甲酯 、 sodium thiomethoxide 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以40%的产率得到methyl 2-methylsulfanylthiazole-5-carboxylate
  参考文献：
  名称：

  [EN] KCNT1 INHIBITORS AND METHODS OF USE
  [FR] INHIBITEURS DE KCNT1 ET PROCÉDÉS D'UTILISATION

  摘要：

  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症状，以及基因中的功能增强突变（例如，KCNT1）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症状，以及基因中的功能增强突变（如KCNT1）的方法。

  公开号：

  WO2020227097A1

文献信息

• Compounds and compositions for treating conditions associated with NLRP activity
  申请人：Novartis AG

  公开号：US11203579B2

  公开（公告）日：2021-12-21

  In one aspect, compounds of Formula AA, or a pharmaceutically acceptable salt thereof, are featured. The variables shown in Formula AA are as defined in the claims. The compounds of formula AA are NLRP3 activity modulators and, as such, can be used in the treatment of metabolic disorders (e.g. Type 2 diabetes, atherosclerosis, obesity or gout), a disease of the central nervous system (e.g. Alzheimer's disease, multiple sclerosis, Amyotrophic Lateral Sclerosis or Parkinson's disease), lung disease (e.g. asthma, COPD or pulmonary idiopathic fibrosis), liver disease (e.g. NASH syndrome, viral hepatitis or cirrhosis), pancreatic disease (e.g. acute pancreatitis or chronic pancreatitis), kidney disease (e.g. acute kidney injury or chronic kidney injury), intestinal disease (e.g. Crohn's disease or Ulcerative Colitis), skin disease (e.g. psoriasis), musculoskeletal disease (e.g. scleroderma), a vessel disorder (e.g. giant cell arteritis), a disorder of the bones (e.g. osteoarthritis, osteoporosis or osteopetrosis disorders), eye disease (e.g. glaucoma or macular degeneration), a disease caused by viral infection (e.g. HIV or AIDS), an autoimmune disease (e.g. Rheumatoid Arthritis, Systemic Lupus Erythematosus or Autoimmune Thyroiditis), cancer or aging.

  在一个方面，以式 AA 的化合物或其药学上可接受的盐为特征。式 AA 中所示变量如权利要求书中所定义。式 AA 的化合物是 NLRP3 活性调节剂，因此可用于治疗代谢性疾病（如 2 型糖尿病、动脉粥样硬化、肥胖或痛风）、中枢神经系统疾病（如阿尔茨海默病、多发性硬化症、多发性脊髓侧索硬化症、多发性硬化症等）。阿尔茨海默病、多发性硬化症、肌萎缩侧索硬化症或帕金森病）、肺部疾病（如哮喘、慢性阻塞性肺病或肺特发性纤维化）、肝脏疾病（如 NASH 综合征、病毒性肝炎或肝硬化）、胰腺疾病（如急性胰腺炎或慢性胰腺炎）、肾脏疾病（如急性肾损伤或慢性肾损伤）。急性肾损伤或慢性肾损伤）、肠道疾病（如克罗恩病或溃疡性结肠炎）、皮肤病（如牛皮癣）、肌肉骨骼疾病（如硬皮病）、血管疾病（如巨细胞动脉炎）、骨骼疾病（如骨关节炎、骨质疏松症、骨质疏松症、骨质疏松症、骨质疏松症、骨质疏松症、骨质疏松症、骨质疏松症、骨质疏松症、骨质疏松症、骨质疏松症、骨质疏松症、骨质疏松症等眼病（如青光眼或黄斑变性）、病毒感染引起的疾病（如艾滋病病毒或艾滋病）、自身免疫性疾病（如类风湿性关节炎、系统性红斑狼疮或自身免疫性甲状腺炎）、癌症或衰老。
• COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY
  申请人：NOVARTIS INFLAMMASOME RESEARCH, INC.

  公开号：US20210171477A1

  公开（公告）日：2021-06-10

  In one aspect, compounds of Formula AA, or a pharmaceutically acceptable salt thereof, are featured. The variables shown in Formula AA are as defined in the claims. The compounds of formula AA are NLRP3 activity modulators and, as such, can be used in the treatment of metabolic disorders (e.g. Type 2 diabetes, atherosclerosis, obesity or gout), a disease of the central nervous system (e.g. Alzheimer's disease, multiple sclerosis, Amyotrophic Lateral Sclerosis or Parkinson's disease), lung disease (e.g. asthma, COPD or pulmonary idiopathic fibrosis), liver disease (e.g. NASH syndrome, viral hepatitis or cirrhosis), pancreatic disease (e.g. acute pancreatitis or chronic pancreatitis), kidney disease (e.g. acute kidney injury or chronic kidney injury), intestinal disease (e.g. Crohn's disease or Ulcerative Colitis), skin disease (e.g. psoriasis), musculoskeletal disease (e.g. scleroderma), a vessel disorder (e.g. giant cell arteritis), a disorder of the bones (e.g. osteoarthritis, osteoporosis or osteopetrosis disorders), eye disease (e.g. glaucoma or macular degeneration), a disease caused by viral infection (e.g. HIV or AIDS), an autoimmune disease (e.g. Rheumatoid Arthritis, Systemic Lupus Erythematosus or Autoimmune Thyroiditis), cancer or aging.
• KCNT1 INHIBITORS AND METHODS OF USE
  申请人：Praxis Precision Medicines, Inc.

  公开号：US20220280476A1

  公开（公告）日：2022-09-08

  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.
• [EN] TGONOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF<br/>[FR] NOUVEAUX INHIBITEURS DE HDAC ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：[en]TANGO THERAPEUTICS, INC.

  公开号：WO2023102162A1

  公开（公告）日：2023-06-08

  Described herein are novel compounds, compositions and methods for treatment of diseases including cancer using such compounds, compositions, and methods. The compounds include those of Formula (I):