4-bromo-5-methoxy-2-(trifluoromethyl)pyridine | 216766-17-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-bromo-5-methoxy-2-(trifluoromethyl)pyridine
• CAS: 216766-17-5
• 化学式: C₇H₅BrF₃NO
• 分子量: 256.022
• InChiKey: GWSYFRQWBFQSTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(isoquinolin-4-yl)-2-oxoimidazolidine-4-carbonitrile 、 4-bromo-5-methoxy-2-(trifluoromethyl)pyridine 在 trans-N,N'-dimethyl-1,2-cyclohexyldiamine 、 copper(l) iodide 、 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 生成 (R)-3-(isoquinolin-4-yl)-1-(5-methoxy-2-(trifluoromethyl)pyridin-4-yl)-2-oxoimidazolidine-4-carbonitrile 、 (S)-3-(isoquinolin-4-yl)-1-(5-methoxy-2-(trifluoromethyl)pyridin-4-yl)-2-oxoimidazolidine-4-carbonitrile
  参考文献：
  名称：

  [EN] COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES
  [FR] COMPOSÉS ET COMPOSITIONS POUR LE TRAITEMENT DE MALADIES ASSOCIÉES AU CORONAVIRUS

  摘要：

  Provided herein are compounds and compositions for treating, managing or preventing coronaviral related diseases. In particular, provided herein are compounds which are inhibitors of SARS-CoV-2 main protease (Mpro), pharmaceutical compositions comprising such compounds, method for synthesizing such compounds and methods of using such compounds and compositions for the treatment, management or prevention of coronaviral related diseases.

  公开号：

  WO2023002409A1
• 作为产物：
  描述：

  5-methoxy-2-(trifluoromethyl)pyridin-4-amine 在 copper(ll) bromide 、 亚硝酸特丁酯 作用下， 以 乙腈 为溶剂， 生成 4-bromo-5-methoxy-2-(trifluoromethyl)pyridine
  参考文献：
  名称：

  [EN] COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES
  [FR] COMPOSÉS ET COMPOSITIONS POUR LE TRAITEMENT DE MALADIES ASSOCIÉES AU CORONAVIRUS

  摘要：

  Provided herein are compounds and compositions for treating, managing or preventing coronaviral related diseases. In particular, provided herein are compounds which are inhibitors of SARS-CoV-2 main protease (Mpro), pharmaceutical compositions comprising such compounds, method for synthesizing such compounds and methods of using such compounds and compositions for the treatment, management or prevention of coronaviral related diseases.

  公开号：

  WO2023002409A1

文献信息

• Spiro-azacyclic derivatives and their use as therapeutic agents
  申请人：Merck Sharp & Dohme Ltd.

  公开号：US06225320B1

  公开（公告）日：2001-05-01

  Substituted spiro-azacyclic derivatives of structural formula I are tachykinin receptor antagonists of use, for example, in the treatment of pain, inflammation, migraine, emesis and posttherpetic neuralgia Wherein A is a pyridyl, X is —CH2—, Y is —CH2— or —CH═ and q is 2.

  结构式I的替代螺环氮杂环衍生物是一种快速激肽受体拮抗剂，可用于治疗疼痛、炎症、偏头痛、呕吐和后疗神经痛等疾病。其中A是吡啶基，X为—CH2—，Y为—CH2—或—CH═，q为2。
• SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP0989987A1

  公开（公告）日：2000-04-05
• US6225320B1
  申请人：——

  公开号：US6225320B1

  公开（公告）日：2001-05-01
• [EN] SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS<br/>[FR] DERIVES SPIRO-AZACYCLIQUES ET LEUR UTILISATION EN TANT QU'AGENTS THERAPEUTIQUES
  申请人：MERCK SHARP & DOHME LIMITED

  公开号：WO1998054187A1

  公开（公告）日：1998-12-03

  (EN) Substituted spiro-azacyclic derivatives of structural formula (I) are tachykinin receptor antagonists of use, for example, in the treatment or prevention of pain, inflammation, migraine, emesis and postherpetic neuralgia.(FR) Dérivés substitués spiro-azacycliques représentés par la formule (I) et qui sont des antagonistes du récepteur de tachykinine utiles, par exemple, pour le traitement et la prophylaxie de la douleur, de l'inflammation, de la migraine, du vomissement et de l'algie post-zostérienne.
• [EN] COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR LE TRAITEMENT DE MALADIES ASSOCIÉES AU CORONAVIRUS
  申请人：[en]NOVARTIS AG

  公开号：WO2023002409A1

  公开（公告）日：2023-01-26

  Provided herein are compounds and compositions for treating, managing or preventing coronaviral related diseases. In particular, provided herein are compounds which are inhibitors of SARS-CoV-2 main protease (Mpro), pharmaceutical compositions comprising such compounds, method for synthesizing such compounds and methods of using such compounds and compositions for the treatment, management or prevention of coronaviral related diseases.