N'-hydroxy-4-(trifluoromethyl)pyridine-2-carboximidamide | 1156542-24-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N'-hydroxy-4-(trifluoromethyl)pyridine-2-carboximidamide
• 英文别名: 4-trifluoromethylpyridine-2-carboxamide oxime；N'-Hydroxy-4-(trifluoromethyl)picolinimidamide
• CAS: 1156542-24-3
• 化学式: C₇H₆F₃N₃O
• 分子量: 205.139
• InChiKey: CDINOYSSYODWGB-UHFFFAOYSA-N

物化性质

• 沸点：
  294.1±50.0 °C(Predicted)
• 密度：
  1.52±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  71.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N'-hydroxy-4-(trifluoromethyl)pyridine-2-carboximidamide 在 TEA 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 11.5h， 生成 (R)-N-(1-cyclohexylethyl)-5,6-dihydroxy-2-(4-(trifluoromethyl)pyridin-2-yl)pyrimidine-4-carboxamide
  参考文献：
  名称：

  5,6-Dihydroxypyrimidine Scaffold to Target HIV-1 Nucleocapsid Protein

  摘要：

  The HIV-1 nucleocapsid (NC) protein is a small basic DNA and RNA binding protein that is absolutely necessary for viral replication and thus represents a target of great interest to develop new anti-HIV agents. Moreover, the highly conserved sequence offers the opportunity to escape the drug resistance (DR) that emerged following the highly active antiretroviral therapy (HAART) treatment. On the basis of our previous research, nordihydroguaiaretic acid 1 acts as a NC inhibitor showing moderate antiviral activity and suboptimal drug-like properties due to the presence of the catechol moieties. A bioisosteric catechol replacement approach led us to identify the S-dihydroxypyrimidine-6-carboxamide substructure as a privileged scaffold of a new class of HIV-1 NC inhibitors. Hit validation efforts led to the identification of optimized analogs, as represented by compound 28, showing improved NC inhibition and antiviral activity as well as good ADME and PK properties.

  DOI：

  10.1021/acsmedchemlett.9b00608
• 作为产物：
  描述：

  2-氰基-4-三氟甲基吡啶 在 盐酸羟胺 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 13.0h， 生成 N'-hydroxy-4-(trifluoromethyl)pyridine-2-carboximidamide
  参考文献：
  名称：

  [EN] PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE
  [FR] PIPÉRIDINYLPYRAZOLOPYRIMIDINONES ET LEUR UTILISATION

  摘要：

  本申请涉及新型取代哌啶基吡唑吡嘧啶酮，以及它们的制备方法，这些化合物可单独或组合使用于治疗和/或预防疾病的方法中，特别是用于治疗和/或预防患有或不患有基础遗传或获得性止血障碍的患者的急性和复发性出血，其中出血与从重经期出血、产后出血、出血性休克、出血性膀胱炎、胃肠道出血、创伤、手术、移植、中风、肝脏疾病、遗传性血管性水肿、鼻血、以及血液积聚后的滑膜炎和软骨损伤等一组疾病或医疗干预有关。

  公开号：

  WO2016071216A1

文献信息

• [EN] PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST<br/>[FR] COMPOSÉ DE PYRIDINE, COMPOSITION PESTICIDE ET PROCÉDÉ DE LUTTE CONTRE LES NUISIBLES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2009066786A1

  公开（公告）日：2009-05-28

  A pyridine compound represented by the following general formula (1); the pyridine compound in which R1 is a C1-C3 fluoroalkyl group or a C1-C3 fluoroalkoxy group; the pyridine compound in which R2 is a hydrogen atom; the pyridine compound in which R2 is a group represented by Q1; a pesticidal composition containing the pyridine compound as an active ingredient; and a method of controlling a pest including applying an effective amount of the pyridine compound to the pest or a place where the pest inhabits, are provided.

  以下是通用公式（1）表示的吡啶化合物；其中R1是C1-C3氟烷基或C1-C3氟烷氧基的吡啶化合物；其中R2是氢原子的吡啶化合物；其中R2是由Q1表示的基团的吡啶化合物；包含所述吡啶化合物作为活性成分的杀虫剂组合物；以及一种控制害虫的方法，包括向害虫或害虫栖息地施加有效量的吡啶化合物。
• PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST
  申请人：Mizuno Hajime

  公开号：US20100286148A1

  公开（公告）日：2010-11-11

  A pyridine compound represented by the following general formula (1); the pyridine compound in which R 1 is a C1-C3 fluoroalkyl group or a C1-C3 fluoroalkoxy group; the pyridine compound in which R 2 is a hydrogen atom; the pyridine compound in which R 2 is a group represented by Q; a pesticidal composition containing the pyridine compound as an active ingredient; and a method of controlling a pest including applying an effective amount of the pyridine compound to the pest or a place where the pest inhabits, are provided.

  提供以下通式（1）所表示的吡啶化合物；其中R1为C1-C3氟烷基或C1-C3氟烷氧基的吡啶化合物；其中R2为氢原子的吡啶化合物；其中R2为由Q表示的基团的吡啶化合物；包含该吡啶化合物作为活性成分的杀虫组合物；以及一种控制害虫的方法，包括将有效量的该吡啶化合物应用于害虫或害虫栖息的地方。
• Piperidinylpyrazolopyrimidinones and their use
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US10118930B2

  公开（公告）日：2018-11-06

  The present application relates to novel substituted piperidinylpyrazolopyrimidinones, to processes for their preparation, the compounds for use alone or in combinations in a method for the treatment and/or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of acute and recurrent bleeding in patients with or without underlying hereditary or acquired hemostatic disorders, wherein the bleeding is associated with a disease or medical intervention selected from the group consisting of heavy menstrual bleeding, postpartum hemorrhage, hemorrhagic shock, hemorrhagic cystitis, gastrointestinal hemorrhage, trauma, surgery, transplantation, stroke, liver diseases, hereditary angioedema, nosebleed, and synovitis and cartilage damage following hemarthrosis.

  本申请涉及新型取代的哌啶基吡唑嘧啶酮、其制备工艺、化合物在治疗和/或预防疾病的方法中的单独使用或组合使用，特别是用于治疗和/或预防有或没有潜在遗传性或获得性止血障碍的患者的急性和复发性出血、其中，出血与疾病或医疗干预有关，这些疾病或医疗干预选自月经大量出血、产后出血、失血性休克、出血性膀胱炎、胃肠道出血、创伤、手术、移植、中风、肝脏疾病、遗传性血管性水肿、鼻出血以及血汗管病后的滑膜炎和软骨损伤组成的组。
• PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP3215505B1

  公开（公告）日：2019-07-24
• US8318776B2
  申请人：——

  公开号：US8318776B2

  公开（公告）日：2012-11-27