N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide
• 化学式: C₈H₁₃N₃O₃
• 分子量: 199.21
• InChiKey: QFWBRDHXBKWUJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide 在 三氟乙酸 、 三氯氧磷 作用下， 以 二氯甲烷 、 N,N-二甲基苯胺 为溶剂， 反应 32.0h， 生成 4-chloropyrazolo[1,5-a]pyrazine
  参考文献：
  名称：

  [EN] FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  [FR] DÉRIVÉS D'HÉTÉROARYLES FUSIONNÉS EN TANT QU'ANTAGONISTES DES RÉCEPTEURS DES ORÉXINES

  摘要：

  提供了与异杂环衍生物化合物，这些化合物是促进睡眠的受体拮抗剂。这些化合物可用于潜在治疗或预防涉及促进睡眠的受体的神经和精神疾病。还提供了一种包含该化合物的组合物，可用于预防或治疗涉及促进睡眠的受体的这类疾病。

  公开号：

  WO2016101119A1
• 作为产物：
  描述：

  吡唑-3-甲酸 、 氨基乙醛缩二甲醇 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以40 mg的产率得到N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  [EN] CDK2 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF
  [FR] INHIBITEUR DE CDK2, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION
  [ZH] CDK2抑制剂及其制备方法和用途

  摘要：

  公开了一种式I所示的CDK2抑制剂及其制备方法和用途。所述式I化合物可作为细胞周期蛋白-依赖性激酶抑制剂，用于预防和/或治疗与细胞周期蛋白依赖性激酶或细胞周期蛋白相关的疾病，例如细胞增殖性疾病、癌症或免疫性疾病。

  公开号：

  WO2023274397A1

文献信息

• [EN] FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS D'HÉTÉROARYLES FUSIONNÉS EN TANT QU'ANTAGONISTES DES RÉCEPTEURS DES ORÉXINES
  申请人：MERCK SHARP & DOHME

  公开号：WO2016101119A1

  公开（公告）日：2016-06-30

  Fused heteroaryl derivative compounds which are antagonists of orexin receptors are provided. The compounds can be used in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. Also provided is a composition which comprises the compound can be use to prevent or treat such diseases in which orexin receptors are involved.

  提供了与异杂环衍生物化合物，这些化合物是促进睡眠的受体拮抗剂。这些化合物可用于潜在治疗或预防涉及促进睡眠的受体的神经和精神疾病。还提供了一种包含该化合物的组合物，可用于预防或治疗涉及促进睡眠的受体的这类疾病。
• [EN] CDK2 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF<br/>[FR] INHIBITEUR DE CDK2, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION<br/>[ZH] CDK2抑制剂及其制备方法和用途
  申请人：[en]TUOJIE BIOTECH (SHANGHAI) CO., LTD.;[zh]上海拓界生物医药科技有限公司

  公开号：WO2023274397A1

  公开（公告）日：2023-01-05

  公开了一种式I所示的CDK2抑制剂及其制备方法和用途。所述式I化合物可作为细胞周期蛋白-依赖性激酶抑制剂，用于预防和/或治疗与细胞周期蛋白依赖性激酶或细胞周期蛋白相关的疾病，例如细胞增殖性疾病、癌症或免疫性疾病。
• FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20180370973A1

  公开（公告）日：2018-12-27

  The present invention is directed to fused heteroaryl derivative compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.
• [EN] FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS D'HÉTÉROARYLE FUSIONNÉS UTILISÉS COMME ANTAGONISTES DE RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2016106106A2

  公开（公告）日：2016-06-30

  The present invention is directed to fused heteroaryl derivative compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.
• HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS
  申请人：[en]SUVEN LIFE SCIENCES LIMITED

  公开号：WO2024042480A1

  公开（公告）日：2024-02-29

  The present invention relates to heteroaromatic compounds of formula (I), or their isotopic forms, stereoisomers, or pharmaceutically acceptable salts thereof as antagonist at serotonin 5-HT2Areceptor and agonist at serotonin 5-HT1Areceptor. The present invention also describes methods of making such compounds, pharmaceutical compositions comprising such compounds, and their use in the treatment of CNS disorders.