2-(3-氯苯基)异烟酸 | 1207725-71-0

• 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
• 中文名称: 2-(3-氯苯基)异烟酸
• 英文名称: 2-(3-Chloro-phenyl)-isonicotinic acid
• 英文别名: 2-(3-Chlorophenyl)isonicotinic acid；2-(3-chlorophenyl)pyridine-4-carboxylic acid
• CAS: 1207725-71-0
• 化学式: C₁₂H₈ClNO₂
• 分子量: 233.654
• InChiKey: OOGHSTYKGBWKAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-(3-氯苯基)异烟酸 在 盐酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 19.0h， 生成 2-(3-chloro-phenyl)-isonicotinic acid methyl ester
  参考文献：
  名称：

  [EN] KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  [FR] INHIBITEURS DE KYNURÉNINE-3-MONOOXYGÉNASE, COMPOSITIONS PHARMACEUTIQUES ET PROCÉDÉS D'UTILISATION DE CES COMPOSITIONS

  摘要：

  本文提供了某些化学实体。还提供了包括至少一种化学实体和一种或多种药用可接受载体的药物组合物。描述了治疗对KMO活性抑制敏感的某些疾病和疾病的方法，包括向这些患者施用至少一种化学实体的有效量以减少疾病或疾病的体征或症状。这些疾病包括亨廷顿病等神经退行性疾病。还描述了治疗方法，包括将至少一种化学实体作为单一活性剂或将至少一种化学实体与一种或多种其他治疗剂结合使用。还提供了筛选能够抑制KMO活性的化合物的方法。

  公开号：

  WO2013033068A1
• 作为产物：
  描述：

  2-氯-4-氰基吡啶 在 四(三苯基膦)钯 、 水 、 potassium carbonate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 生成 2-(3-氯苯基)异烟酸
  参考文献：
  名称：

  选择性靶向艰难梭菌的吡啶酰胺类抗菌药物的构效关系

  摘要：

  艰难梭菌是主要的健康威胁。这种病原体在由口服抗生素引起的肠道微生物群失调期间引发肠道感染。艰难梭菌难以根除，因为它能够形成对抗生素不敏感的孢子。为了解决治疗复发性艰难梭菌感染的迫切需求，需要选择性靶向艰难梭菌而不是常见肠道微生物群的抗生素。我们在本文中描述了对艰难梭菌表现出强效和选择性活性的吡啶酰胺类抗菌剂。108种异烟酰胺4类似物的构效关系研究了一种对耐甲氧西林金黄色葡萄球菌和艰难梭菌具有同等活性的化合物。引入以类似物87为例的吡啶酰胺核心导致对艰难梭菌的极好的效力和选择性。吡啶酰胺类选择性靶向艰难梭菌和预防肠道菌群失调的能力有望用于治疗复发性艰难梭菌感染。

  DOI：

  10.1021/acsmedchemlett.1c00135

文献信息

• Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof
  申请人：Wityak John

  公开号：US09145373B2

  公开（公告）日：2015-09-29

  Certain chemical entities are provided herein. Also provided are pharmaceutical compositions comprising at least one chemical entity and one or more pharmaceutically acceptable vehicle. Methods of treating patients suffering from certain diseases and disorders responsive to the inhibition of KMO activity are described, which comprise administering to such patients an amount of at least one chemical entity effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include neurodegenerative disorders such as Huntington's disease. Also described are methods of treatment include administering at least one chemical entity as a single active agent or administering at least one chemical entity in combination with one or more other therapeutic agents. Also provided are methods for screening compounds capable of inhibiting KMO activity.

  本文提供了某些化学实体。还提供了包括至少一个化学实体和一个或多个药用可接受载体的药物组合物。描述了治疗对KMO活性抑制敏感的某些疾病和疾病的方法，包括向这些患者施用至少一种化学实体的有效量，以减少疾病或疾病的症状。这些疾病包括亨廷顿病等神经退行性疾病。还描述了治疗方法，包括将至少一种化学实体作为单一活性剂或与一个或多个其他治疗剂结合使用。还提供了筛选能够抑制KMO活性的化合物的方法。
• Discovery of Dap-3 Polymyxin Analogues for the Treatment of Multidrug-Resistant Gram-Negative Nosocomial Infections
  作者：Thomas V. Magee、Matthew F. Brown、Jeremy T. Starr、David C. Ackley、Joseph A. Abramite、Jiri Aubrecht、Andrew Butler、Jared L. Crandon、Fadia Dib-Hajj、Mark E. Flanagan、Karl Granskog、Joel R. Hardink、Michael D. Huband、Rebecca Irvine、Michael Kuhn、Karen L. Leach、Bryan Li、Jian Lin、David R. Luke、Shawn H. MacVane、Alita A. Miller、Sandra McCurdy、James M. McKim、David P. Nicolau、Thuy-Trinh Nguyen、Mark C. Noe、John P. O’Donnell、Scott B. Seibel、Yue Shen、Antonia F. Stepan、Andrew P. Tomaras、Paul C. Wilga、Li Zhang、Jinfeng Xu、Jinshan Michael Chen

  DOI：10.1021/jm400416u

  日期：2013.6.27

  We report novel polymyxin analogues with improved antibacterial in vitro potency against polymprin resistant recent clinical isolates of Acinetobacter baumannii and Pseudomonas aeruginosa. In addition, a human renal cell in vitro assay (hRPTEC) was used to inform structure-toxicity relationships and further differentiate analogues. Replacement of the Dab-3 residue with a Dap-3 in combination with a relatively polar 6-oxo-1-phenyl-1,6-dihydropyridine-3-carbonyl side chain as a fatty acyl replacement yielded analogue 5x, which demonstrated an improved in vitro antimicrobial and renal cytotoxicity profiles relative to polymyxin B (PMB). However, in vivo PK/PD comparison of 5x and PMB in a murine neutropenic thigh model against P. aeruginosa strains with matched MICs showed that 5x was inferior to PMB in vivo, suggesting a lack of improved therapeutic index in spite of apparent in vitro advantages.
• CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  申请人：CHDI Foundation, Inc.

  公开号：EP2331095B1

  公开（公告）日：2014-10-15
• KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  申请人：Courtney Stephen Martin

  公开号：US20140329795A1

  公开（公告）日：2014-11-06

  Certain chemical entities are provided herein. Also provided are pharmaceutical compositions comprising at least one chemical entity and one or more pharmaceutically acceptable vehicle. Methods of treating patients suffering from certain diseases and disorders responsive to the inhibition of KMO activity are described, which comprise administering to such patients an amount of at least one chemical entity effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include neurodegenerative disorders such as Huntington's disease. Also described are methods of treatment include administering at least one chemical entity as a single active agent or administering at least one chemical entity in combination with one or more other therapeutic agents. Also provided are methods for screening compounds capable of inhibiting KMO activity.
• US8536186B2
  申请人：——

  公开号：US8536186B2

  公开（公告）日：2013-09-17