4-(tert-butyl) 2-ethyl 6-chloro-2,3-dihydro-4H-benzo[b][1,4]oxazine-2,4-dicarboxylate | 1229827-27-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 4-(tert-butyl) 2-ethyl 6-chloro-2,3-dihydro-4H-benzo[b][1,4]oxazine-2,4-dicarboxylate
• 英文别名: 6-chloro-2,3-dihydro-benzo[1,4]oxazine-2,4-dicarboxylic acid 4-tert-butyl ester 2-ethyl ester；4-O-tert-butyl 2-O-ethyl 6-chloro-2,3-dihydro-1,4-benzoxazine-2,4-dicarboxylate
• CAS: 1229827-27-3
• 化学式: C₁₆H₂₀ClNO₅
• 分子量: 341.791
• InChiKey: JKOJTMRIGNOBQJ-UHFFFAOYSA-N

物化性质

• 沸点：
  431.3±45.0 °C(Predicted)
• 密度：
  1.258±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(tert-butyl) 2-ethyl 6-chloro-2,3-dihydro-4H-benzo[b][1,4]oxazine-2,4-dicarboxylate 在 二(三叔丁基膦)钯 、 乙醇 、 lithium hydroxide 作用下， 以 N-甲基吡咯烷酮 、 水 为溶剂， 反应 2.5h， 生成 6-cyano-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
  参考文献：
  名称：

  [EN] AMIDO-SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES
  [FR] COMPOSÉS HÉTÉROCYCLIQUES À SUBSTITUTION AMIDO ET PROCÉDÉS D'UTILISATION DESDITS COMPOSÉS POUR TRAITER LES HERPÈSVIRUS

  摘要：

  本发明涉及具有以下结构式（I）的新型酰胺取代杂环化合物及其药学上可接受的盐，其中X、R1、R2、R3和R4如本文所定义。本发明还涉及包含至少一种酰胺取代杂环化合物的组合物，以及使用这些酰胺取代杂环化合物治疗或预防患者的疱疹病毒感染的方法。

  公开号：

  WO2021126902A1
• 作为产物：
  描述：

  6-氯-3,4-二氢-2H-苯并[1,4]噁嗪-2-羧酸乙酯 、 二碳酸二叔丁酯 在 4-二甲氨基吡啶 水 、 乙酸乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以Concentration of ethyl acetate solution afforded 160 mg (100%) of 6-Chloro-2,3-dihydro-benzo[1,4]oxazine-2,4-dicarboxylic acid 4-tert-butyl ester 2-ethyl ester的产率得到4-(tert-butyl) 2-ethyl 6-chloro-2,3-dihydro-4H-benzo[b][1,4]oxazine-2,4-dicarboxylate
  参考文献：
  名称：

  NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS

  摘要：

  本发明涉及苯二氧杂环和苯并噁唑衍生物，其作为CC趋化因子受体（如CCR1）的配体。本发明还涉及制备该化合物的方法，含有该化合物的组合物以及使用该化合物进行治疗的方法。

  公开号：

  US20100152160A1

文献信息

• WO2020012339A5
  申请人：——

  公开号：WO2020012339A5

  公开（公告）日：2022-07-15
• CHEMICAL COMPOUNDS
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：EP3820843A1

  公开（公告）日：2021-05-19
• [EN] NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS<br/>[FR] NOUVEAUX DÉRIVÉS DE BENZODIOXANE ET BENZOXAZINE UTILES EN TANT QUE LIGANDS POUR LES RÉCEPTEURS DE CHIMIOKINE CC
  申请人：FOREST LAB HOLDINGS LTD

  公开号：WO2010068881A1

  公开（公告）日：2010-06-17

  The present invention relates to benzodioxane and benzoxazine derivatives that act as ligands for CC chemokine receptors, such as CCRl. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSÉS CHIMIQUES
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2020012339A1

  公开（公告）日：2020-01-16

  The invention is directed to substituted carbon-linked bicycloalkane derivatives. Specifically, the invention is directed to compounds according to Formula (X): (X) wherein C', D', L2', L3', R1', R2', R3', R4', R5', R6', R7', R8', z1', z2', z3', z4', z5', z6', X1, and X2 are as defined herein; or a salt thereof including a pharmaceutically acceptable salt thereof. The compounds of the invention are inhibitors of the ATF4 pathway and can be useful in the treatment of cancer, pre-cancerous syndromes and diseases associated with activated unfolded protein response pathways, such as Alzheimer's disease, spinal cord injury, traumatic brain injury, ischemic stroke, stroke, diabetes, Parkinson disease, Huntington's disease, Creutzfeldt-Jakob Disease, and related prion diseases, progressive supranuclear palsy, amyotrophic lateral sclerosis, myocardial infarction, cardiovascular disease, inflammation, fibrosis, chronic and acute diseases of the liver, chronic and acute diseases of the lung, chronic and acute diseases of the kidney, chronic traumatic encephalopathy (CTE), neurodegeneration, dementia, cognitive impairment, atherosclerosis, ocular diseases, neurological disorders, pain, arrhythmias, in organ transplantation and in the transportation of organs for transplantation. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting the ATF4 pathway and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.
• [EN] AMIDO-SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES À SUBSTITUTION AMIDO ET PROCÉDÉS D'UTILISATION DESDITS COMPOSÉS POUR TRAITER LES HERPÈSVIRUS
  申请人：MERCK SHARP & DOHME

  公开号：WO2021126902A1

  公开（公告）日：2021-06-24

  The present invention relates to novel Amido-Substituted Heterocycle Compounds of Formula (I) and pharmaceutically acceptable salts thereof, wherein X, R1, R2, R3, and R4 are as defined herein. The present invention also relates to compositions comprising at least one Amido-Substituted Heterocycle Compound, and methods of using the Amido-Substituted Heterocycle Compounds for treating or preventing a herpesvirus infection in a patient.

  本发明涉及具有以下结构式（I）的新型酰胺取代杂环化合物及其药学上可接受的盐，其中X、R1、R2、R3和R4如本文所定义。本发明还涉及包含至少一种酰胺取代杂环化合物的组合物，以及使用这些酰胺取代杂环化合物治疗或预防患者的疱疹病毒感染的方法。