2,4-二氧代-4-吡啶-4-丁酸 | 98589-58-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 中文名称: 2,4-二氧代-4-吡啶-4-丁酸
• 中文别名: 2,4-二酮-4-吡啶-4-丁酸
• 英文名称: 2,4-dioxo-4-(pyridin-4-yl)butanoic acid
• 英文别名: 2,4-dioxo-4-(pyridine-4-yl)butyric acid；2,4-dioxo-4-pyridin-4-yl-butyric acid；1,3-Dioxo-1-pyrid-4-ylbutan-4-saeure；2,4-Dioxo-4-pyridin-4-ylbutanoic acid
• CAS: 98589-58-3
• 化学式: C₉H₇NO₄
• mdl: MFCD06245354
• 分子量: 193.159
• InChiKey: ROQQLNHLFCKPOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  84.3
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  9b-amino-4b-hydroxy-7-isopropyl-4b,9b-dihydro-5-oxa-indeno[2,1-a]inden-10-one 、 2,4-二氧代-4-吡啶-4-丁酸 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 二氯甲烷 为溶剂， 反应 24.08h， 以74%的产率得到N-(4b-hydroxy-7-isopropyl-10-oxo-4b,10-dihydro-9bH-indeno[1,2-b]benzofuran-9b-yl)-2,4-dioxo-4-(pyridin-4-yl)butanamide
  参考文献：
  名称：

  NOVEL COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF VIRAL DISEASES CONTAINING SAME AS ACTIVE INGREDIENT

  摘要：

  公开号：

  EP2933254B1
• 作为产物：
  描述：

  4-乙酰吡啶 在 盐酸 、 溶剂黄146 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 2,4-二氧代-4-吡啶-4-丁酸
  参考文献：
  名称：

  Design, Synthesis and Antimicrobial Evaluation of Methyl Pyridyl-2,4- Dioxobutanoates and Some New Derived Ring Systems

  摘要：

  本研究描述了一系列新化合物的合成，这些化合物源自甲基吡啶-2,4-二氧丁酸酯，含有与取代的生物活性杂环基团相连的吡啶环，以调查其初步的体外抗菌和抗真菌活性。结果显示，大多数测试的化合物对铜绿假单胞菌（P. aeruginosa）和大肠杆菌（E. coli）表现出显著活性。它们还对金黄色葡萄球菌（S. aureus）和枯草芽孢杆菌（B. subtilis）显示了相当的活性。另一方面，这些化合物表现出中等的抗真菌活性。

  DOI：

  10.2174/1573406411666141205102544

文献信息

• NOVEL COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF VIRAL DISEASES CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US20150336920A1

  公开（公告）日：2015-11-26

  The present invention relates to a novel compound, to a pharmaceutically acceptable salt or optical isomer thereof, to a method for preparing same, and to a pharmaceutical composition for the prevention or treatment of viral diseases containing same as an active ingredient. The novel compound according to the present invention not only has low cytotoxicity but also has excellent antiviral activity against picornavirus such as coxsackievirus, enterovirus, echovirus, poliovirus and rhinovirus, and thus can be effectively used as a pharmaceutical composition for the prevention or treatment of viral diseases such as infantile paralysis, acute hemorrhagic conjunctivitis, viral meningitis, hand-foot-and-mouth disease, vesicular disease, hepatitis A, myitis, myocarditis, pancreatitis, diabetes, epidemic myalgia, encephalitis, cold, herpangina, foot-and-mouth disease, asthma, chronic obstructive pulmonary disease, pneumonia, sinus infection, or otitis media.

  本发明涉及一种新型化合物，一种药学上可接受的盐或其光学异构体，一种制备方法，以及一种包含其作为活性成分的用于预防或治疗病毒性疾病的制药组合物。本发明的新型化合物不仅细胞毒性低，而且对柯萨奇病毒、肠道病毒、回肠病毒、脊髓灰质炎病毒和鼻病毒等小RNA病毒具有出色的抗病毒活性，因此可以有效地用作预防或治疗儿童麻痹症、急性出血性结膜炎、病毒性脑膜炎、手足口病、水痘、甲型肝炎、肌炎、心肌炎、胰腺炎、糖尿病、流行性肌痛、脑炎、感冒、疱疹咽峡炎、口蹄疫、哮喘、慢性阻塞性肺病、肺炎、鼻窦炎或中耳炎的制药组合物。
• COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF VIRAL DISEASES CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：Korea Research Institute of Chemical Technology

  公开号：EP3882244A1

  公开（公告）日：2021-09-22

  The present invention relates to a novel compound, to a pharmaceutically acceptable salt or optical isomer thereof, to a method for preparing same, and to a pharmaceutical composition for the prevention or treatment of viral diseases containing same as an active ingredient. The novel compound according to the present invention not only has low cytotoxicity but also has excellent antiviral activity against picornavirus such as coxsackievirus, enterovirus, echovirus, poliovirus and rhinovirus, and thus can be effectively used as a pharmaceutical composition for the prevention or treatment of viral diseases such as infantile paralysis, acute hemorrhagic conjunctivitis, viral meningitis, hand-foot-and-mouth disease, vesicular disease, hepatitis A, myitis, myocarditis, pancreatitis, diabetes, epidemic myalgia, encephalitis, cold, herpangina, foot-and-mouth disease, asthma, chronic obstructive pulmonary disease, pneumonia, sinus infection, or otitis media.

  本发明涉及一种新型化合物、其药学上可接受的盐或光学异构体、其制备方法以及以其为活性成分的预防或治疗病毒性疾病的药物组合物。根据本发明的新型化合物不仅细胞毒性低，而且对柯萨奇病毒、肠道病毒、埃可病毒、脊髓灰质炎病毒和鼻病毒等皮卡病毒具有优异的抗病毒活性，因此可有效地用作预防或治疗婴儿麻痹等病毒性疾病的药物组合物、急性出血性结膜炎、病毒性脑膜炎、手足口病、水泡病、甲型肝炎、肌炎、心肌炎、胰腺炎、糖尿病、流行性肌痛、脑炎、感冒、疱疹、口蹄疫、哮喘、慢性阻塞性肺病、肺炎、鼻窦炎或中耳炎。
• Discovery of α,γ-Diketo Acids as Potent Selective and Reversible Inhibitors of Hepatitis C Virus NS5b RNA-Dependent RNA Polymerase
  作者：Vincenzo Summa、Alessia Petrocchi、Paola Pace、Victor G. Matassa、Raffaele De Francesco、Sergio Altamura、Licia Tomei、Uwe Koch、Philippe Neuner

  DOI：10.1021/jm0342109

  日期：2004.1.1

  alpha,gamma-Diketo acids (DKA) were discovered from screening as selective and reversible inhibitors of hepatitis C virus NS5b RNA-dependent RNA polymerase. The diketo acid moiety proved essential for activity, while substitution on the gamma position was necessary for selectivity and potency. Optimization led to the identification of a DKA inhibitor of NS5b polymerase with IC50 = 45 nM, one of the most potent HCV NS5b polymerase inhibitors reported.
• US9790197B2
  申请人：——

  公开号：US9790197B2

  公开（公告）日：2017-10-17
• US9951058B2
  申请人：——

  公开号：US9951058B2

  公开（公告）日：2018-04-24