4,5,6,7-四氢-4-氧代-吡唑并[1,5-a]吡嗪-2-羧酸甲酯 | 604003-25-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4,5,6,7-四氢-4-氧代-吡唑并[1,5-a]吡嗪-2-羧酸甲酯
• 中文别名: 4,5,6,7-四氢-4-氧代-吡唑并[1,5-A]吡嗪-2-羧酸甲酯
• 英文名称: 4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid methyl ester
• 英文别名: methyl 4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate；methyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• CAS: 604003-25-0
• 化学式: C₈H₉N₃O₃
• 分子量: 195.178
• InChiKey: CGSWPPZECJHSON-UHFFFAOYSA-N

物化性质

• 沸点：
  512.6±45.0 °C(Predicted)
• 密度：
  1.56±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  73.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,5,6,7-四氢-4-氧代-吡唑并[1,5-a]吡嗪-2-羧酸甲酯 在 dimethyl sulfide borane 作用下， 以 四氢呋喃 为溶剂， 生成 methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER
  [FR] COMPOSÉS HÉTÉROCYCLIQUES À UTILISER DANS LE TRAITEMENT DU CANCER

  摘要：

  The invention relates to heterocyclic derivatives and their use in the treatment and prophylaxis of cancer, and to compositions containing said derivatives and processes for their preparation.

  公开号：

  WO2023067353A1
• 作为产物：
  描述：

  dimethyl 1-(2-aminoethyl)-1H-pyrazole-3,5-dicarboxylate trifluoroacetate 在 三乙胺 作用下， 以 乙腈 为溶剂， 以87 %的产率得到4,5,6,7-四氢-4-氧代-吡唑并[1,5-a]吡嗪-2-羧酸甲酯
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER
  [FR] COMPOSÉS HÉTÉROCYCLIQUES À UTILISER DANS LE TRAITEMENT DU CANCER

  摘要：

  The invention relates to heterocyclic derivatives and their use in the treatment and prophylaxis of cancer, and to compositions containing said derivatives and processes for their preparation.

  公开号：

  WO2023067353A1

文献信息

• [EN] FUSED HETEROCYCLIC DERIVATIVES<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES FUSIONNÉS
  申请人：JANSSEN SCIENCES IRELAND UNLIMITED CO

  公开号：WO2020243153A1

  公开（公告）日：2020-12-03

  The application describes fused heterocycle derivative compounds, pharmaceutical compositions comprising these compounds, chemical processes for preparing these compounds and their use in the treatment of diseases associated with HBV infection.

  该应用描述了融合杂环衍生物化合物，包括这些化合物的药物组合物，用于制备这些化合物的化学过程以及它们在治疗与HBV感染相关的疾病中的用途。
• Rapid synthesis of tetrahydro-4H-pyrazolo[1,5-a]diazepine-2-carboxylate
  作者：Raymond J. Cvetovich、Brenda Pipik、Frederick W. Hartner、Edward J.J. Grabowski

  DOI：10.1016/s0040-4039(03)01417-5

  日期：2003.7

  Hydrazines condense with dimethyl 2-pyrrolidino-4-oxo-2-pentenedioate in the presence of aq. HCl to form N-substituted pyrazole-3,5-dicarboxylates 2. Complex bicyclic derivatives, such as pyrazolo-oxazine 3a, pyrazolo-oxazepine 3b, pyrazolopyrazine 4a, and pyrazolo-diazepine 4b, were generated using 2-hydrazinoethanol, 3-hydrazinopropanol, 2-hydrazinoethylamine, and 3-hydrazinopropylamine. (C) 2003 Elsevier Ltd. All rights reserved.
• FUSED HETEROCYCLE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS
  申请人：Janssen Sciences Ireland Unlimited Company

  公开号：EP3976619A1

  公开（公告）日：2022-04-06
• [EN] FUSED HETEROCYCLE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES FUSIONNÉS UTILISÉS EN TANT QUE MODULATEURS D'ASSEMBLAGE DE CAPSIDES
  申请人：JANSSEN SCIENCES IRELAND UNLIMITED CO

  公开号：WO2020239864A1

  公开（公告）日：2020-12-03

  Disclosed are compounds, compositions and methods for treating of diseases, syndromes, conditions, and disorders that are affected by the modulation of CAM1. Such compounds are represented by Formula (I) as follows (I) wherein, R1, R1A, R2, R3, R4, HET, n, X, Y, Z1and Z2 are defined herein.
• [EN] HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES À UTILISER DANS LE TRAITEMENT DU CANCER
  申请人：[en]ARTIOS PHARMA LIMITED

  公开号：WO2023067353A1

  公开（公告）日：2023-04-27

  The invention relates to heterocyclic derivatives and their use in the treatment and prophylaxis of cancer, and to compositions containing said derivatives and processes for their preparation.