2-hydroxy-4-(2-(2-methoxyethoxy)ethoxy)benzonitrile | 1346427-94-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-hydroxy-4-(2-(2-methoxyethoxy)ethoxy)benzonitrile
• 英文别名: 2-Hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
• CAS: 1346427-94-8
• 化学式: C₁₂H₁₅NO₄
• 分子量: 237.255
• InChiKey: WDJYIZADRMYNOC-UHFFFAOYSA-N

物化性质

• 沸点：
  406.3±45.0 °C(predicted)
• 密度：
  1.19±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  71.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-hydroxy-4-(2-(2-methoxyethoxy)ethoxy)benzonitrile 在 盐酸 、 三乙胺 作用下， 以 甲醇 为溶剂， 生成 methyl 2-(2-hydroxy-4-(2-(2-methoxyethoxy)ethoxy)phenyl)-4-methyl-4,5-dihydro-1H-imidazole-4-carboxylate
  参考文献：
  名称：

  DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS

  摘要：

  本文披露了新的去氮去除铁硫胺聚醚（DADFT-PE）类似物化合物，以及包含它们的药物组合物，以及它们作为金属螯合剂用于治疗疾病的应用。还提供了在人类或动物主体中螯合铁和其他金属的方法，用于治疗金属过载和中毒。

  公开号：

  US20110275636A1
• 作为产物：
  描述：

  7-羟基-2,2-二甲基-4H-苯并[D][1,3]二噁英-4-酮 在 氨 、 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 异丙醇 、 乙腈 为溶剂， 反应 4.5h， 生成 2-hydroxy-4-(2-(2-methoxyethoxy)ethoxy)benzonitrile
  参考文献：
  名称：

  DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS

  摘要：

  本文披露了新的去氮去除铁硫胺聚醚（DADFT-PE）类似物化合物，以及包含它们的药物组合物，以及它们作为金属螯合剂用于治疗疾病的应用。还提供了在人类或动物主体中螯合铁和其他金属的方法，用于治疗金属过载和中毒。

  公开号：

  US20110275636A1

文献信息

• DESAZADESFERROTHIOCIN ANALOGUES AS METAL CHELATION AGENTS
  申请人：FerroKin BioSciences, Inc.

  公开号：US20150259306A1

  公开（公告）日：2015-09-17

  Disclosed herein are new compounds of desazadesferrothiocin polyether (DADFT-PE) analogues, as well as pharmaceutical compositions comprising them and their application as metal chelation agents for the treatment of disease. Methods of chelation of iron and other metals in a human or animal subject are also provided for the treatment of metal overload and toxicity.

  本文披露了新的去氮去铁硫单环醚（DADFT-PE）类似物化合物，以及包含它们的制药组合物，以及它们作为金属螯合剂用于治疗疾病的应用。还提供了用于治疗人类或动物主体中金属过载和毒性的铁和其他金属螯合方法。
• US9045440B2
  申请人：——

  公开号：US9045440B2

  公开（公告）日：2015-06-02
• [EN] DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS<br/>[FR] ANALOGUES DE DÉSAZADESFERROTHIOCINE ET DE POLYÉTHER DE DÉSAZADESFERROTHIOCINE UTILISÉS EN TANT QUE CHÉLATEURS MÉTALLIQUES
  申请人：FERROKIN BIOSCIENCES INC

  公开号：WO2011140232A2

  公开（公告）日：2011-11-10

  Disclosed herein are new compounds of desazadesferrothiocin polyether (DADFT- PE) analogues, as well as pharmaceutical compositions comprising them and their application as metal chelation agents for the treatment of disease. Methods of chelation of iron and other metals in a human or animal subject are also provided for the treatment of metal overload and toxicity.
• DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS
  申请人：Malecha James

  公开号：US20110275636A1

  公开（公告）日：2011-11-10

  Disclosed herein are new compounds of desazadesferrothiocin polyether (DADFT-PE) analogues, as well as pharmaceutical compositions comprising them and their application as metal chelation agents for the treatment of disease. Methods of chelation of iron and other metals in a human or animal subject are also provided for the treatment of metal overload and toxicity.

  本文披露了新的去氮去除铁硫胺聚醚（DADFT-PE）类似物化合物，以及包含它们的药物组合物，以及它们作为金属螯合剂用于治疗疾病的应用。还提供了在人类或动物主体中螯合铁和其他金属的方法，用于治疗金属过载和中毒。
• [EN] COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE<br/>[FR] COMPOSÉS, COMPOSITIONS PHARMACEUTIQUES ET MÉTHODES DE TRAITEMENT D'UNE MALADIE INTESTINALE INFLAMMATOIRE
  申请人：[en]FLAGSHIP PIONEERING INNOVATIONS VI, LLC

  公开号：WO2023192388A1

  公开（公告）日：2023-10-05

  The disclosure provides pharmaceutical compositions comprising a therapeutically effective amount of compound (A), compound (B), compound (C), compound (D), compound (E), compound (F), compound (G), compound (H), compound (J), compound (K), compound (L), compound (M), compound (N), compound (O), compound (P), or compound (Q)or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable excipient: Also provided are dosage units comprising one or more of compound (A), compound (B), compound (C), compound (D), compound (E), compound (F), compound (G), compound (H), compound (J), compound (K), compound (L), compound (M), compound (N), compound (O), compound (P), or compound (Q) or the pharmaceutical compositions described herein, methods of treating an inflammatory bowel disease in a subject in need thereof, or methods of modulating an inflammatory bowel disease marker in a subject in need thereof.