2-[(5-氯-3-吡啶)氧基]-5-硝基苯甲酸 | 239081-09-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-[(5-氯-3-吡啶)氧基]-5-硝基苯甲酸
• 英文名称: 2-[(5-Chloro-3-pyridyl)oxy]-5-nitrobenzoic acid
• 英文别名: 2-(5-chloropyridin-3-yl)oxy-5-nitrobenzoic acid
• CAS: 239081-09-5
• 化学式: C12H7ClN2O5
• 分子量: 294.65
• InChiKey: ZMKRKGVCQKZVRV-UHFFFAOYSA-N

物化性质

• 沸点：
  437.2±45.0 °C(Predicted)
• 密度：
  1.554±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Treating and preventing disease with TMA and TMAO lowering agents
  申请人：The Cleveland Clinic Foundation

  公开号：US10117879B2

  公开（公告）日：2018-11-06

  Provided herein are compositions, systems, and methods for treating a disease, such as kidney and/or cardiovascular disease, with an agent that reduces the production of trimethylamine (TMA) or trimethylamine-n-oxide (TMAO) in a subject. In certain embodiments, the agent is: i) 3,3-dimethyl-1-butanol (DMB) or a DMB derivative or related compound, ii) acetylsalicylic acid or derivative thereof (e.g., with an enteric coating for delivery to the colon and/or cecum); iii) a flavin monooxygenase 3 (FMO3) inhibitor; iv) a gut TMA lyase inhibitor; v) an antibiotic or antimicrobial; vi) a probiotic or prebiotic; vii) an antiplatelet agent; or viii) a TMA and/or TMAO sequestering agent.

  本文提供的组合物、系统和方法用于使用可减少受试者体内三甲胺（TMA）或三甲胺氧化物（TMAO）产生的制剂治疗疾病，如肾脏和/或心血管疾病。在某些实施方案中，药剂是：i) 3,3-二甲基-1-丁醇（DMB）或 DMB 衍生物或相关化合物，ii) 乙酰水杨酸或其衍生物（例如、iii) 黄素单加氧酶 3 (FMO3) 抑制剂；iv) 肠道 TMA 裂解酶抑制剂；v) 抗生素或抗菌剂；vi) 益生菌或益生元；vii) 抗血小板剂；或 viii) TMA 和/或 TMAO 封闭剂。
• TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS
  申请人：The Cleveland Clinic Foundation

  公开号：EP3197442A2

  公开（公告）日：2017-08-02
• TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY
  申请人：The Cleveland Clinic Foundation

  公开号：EP3641748A1

  公开（公告）日：2020-04-29
• DISEASE DETECTION AND TREATMENT BASED ON TRIMETHYL-LYSINE LEVELS
  申请人：The Cleveland Clinic Foundation

  公开号：EP3746066A1

  公开（公告）日：2020-12-09
• TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS
  申请人：The Cleveland Clinic Foundation

  公开号：US20200197417A1

  公开（公告）日：2020-06-25

  Provided herein are compositions, systems, and methods for treating a disease, such as kidney and/or cardiovascular disease, with an agent that reduces the production of trimethylamine (TMA) or trimethylamine-n-oxide (TMAO) in a subject. In certain embodiments, the agent is: i) 3,3-dimethyl-1-butanol (DMB) or a DMB derivative or related compound, ii) acetylsalicylic acid or derivative thereof (e.g., with an enteric coating for delivery to the colon and/or cecum); iii) a flavin monooxygenase 3 (FMO3) inhibitor; iv) a gut TMA lyase inhibitor; v) an antibiotic or antimicrobial; vi) a probiotic or prebiotic; vii) an antiplatelet agent; or viii) a TMA and/or TMAO sequestering agent.