4-(4-formylphenoxy)butylnitrate | 1428269-41-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(4-formylphenoxy)butylnitrate
• 英文别名: 4-(4-Formylphenoxy)butyl nitrate；4-(4-formylphenoxy)butyl nitrate
• CAS: 1428269-41-3
• 化学式: C₁₁H₁₃NO₅
• 分子量: 239.228
• InChiKey: AGPHLEAEJLCTHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(4-formylphenoxy)butylnitrate 在 potassium permanganate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 10.5h， 生成 4-[4-[(1-butyl-3-oxo-1H-2-benzofuran-5-yl)carbamoyl]phenoxy]butyl nitrate
  参考文献：
  名称：

  Synthesis and biological evaluation of nitric oxide releasing derivatives of 6-amino-3-n-butylphthalide as potential antiplatelet agents

  摘要：

  A series of novel nitric oxide releasing derivatives of 6-amino-3-n-butylphthalide were designed, synthesized and evaluated as potential antiplatelet agents. Compound 10b significantly inhibited the adenosine diphosphate (ADP)-induced platelet aggregation in vitro, superior to 6-amino-3-n-butylphthalide, 3-n-butylphthalide (NBP) and ticlopidine. Meanwhile 10b released moderate levels of NO, which could be beneficial for improving cardiovascular and cerebral circulation. Furthermore, 10b had an enhanced aqueous solubility relative to NBP. These findings may provide new insights into the development of novel antiplatelet agents for the treatment of thrombosis-related ischemic stroke. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.035
• 作为产物：
  描述：

  4-(4-溴丁氧基)苯甲醛 在 silver nitrate 作用下， 以 乙腈 为溶剂， 反应 10.0h， 以65%的产率得到4-(4-formylphenoxy)butylnitrate
  参考文献：
  名称：

  [EN] NSAIDs DERIVATIVES AND USES THEREOF
  [FR] DÉRIVÉS D'ANTI-INFLAMMATOIRES NON STÉROÏDIENS (AINS) ET LEURS UTILISATIONS

  摘要：

  本发明公开了源自非甾体抗炎药（NSAIDs）的新化合物及其药用可接受的盐。发明的其他方面涉及使用这些非甾体抗炎药衍生物来治疗炎症性疾病以及相应的药物组合物。非甾体抗炎药（NSAIDs）是治疗炎症状况的典型药物。NSAIDs还可能作为许多形式癌症的治疗剂而具有实用价值。然而，长期使用NSAIDs可能会导致影响胃肠和肾脏系统的严重副作用。

  公开号：

  WO2014124208A1

文献信息

• [EN] NSAIDs DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS D'ANTI-INFLAMMATOIRES NON STÉROÏDIENS (AINS) ET LEURS UTILISATIONS
  申请人：UNIV CITY NEW YORK RES FOUND

  公开号：WO2014124208A1

  公开（公告）日：2014-08-14

  The present invention discloses novel compounds derived from NSAIDs and pharmaceutically acceptable salts thereof. Other aspects of the invention relate to use of the NSAID derivatives in treating inflammatory diseases and pharmaceutical compositions thereof. Non-steroidal anti-inflammatory drugs (NSAIDs) are prototypical agents for treatment of inflammatory conditions. NSAIDs may also have utility as therapeutic agents against many forms of cancers. However, long-term use of NSAIDs may lead to serious side effects affecting the gastrointestinal and renal systems.

  本发明公开了源自非甾体抗炎药（NSAIDs）的新化合物及其药用可接受的盐。发明的其他方面涉及使用这些非甾体抗炎药衍生物来治疗炎症性疾病以及相应的药物组合物。非甾体抗炎药（NSAIDs）是治疗炎症状况的典型药物。NSAIDs还可能作为许多形式癌症的治疗剂而具有实用价值。然而，长期使用NSAIDs可能会导致影响胃肠和肾脏系统的严重副作用。
• NSAIDs DERIVATIVES AND USES THEREOF
  申请人：THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK

  公开号：US20150376162A1

  公开（公告）日：2015-12-31

  The present invention discloses novel compounds derived from NSAIDs and pharmaceutically acceptable salts thereof. Other aspects of the invention relate to use of the NSAID derivatives in treating inflammatory diseases and pharmaceutical compositions thereof.

  本发明揭示了从非甾体抗炎药（NSAIDs）衍生出的新化合物及其药学上可接受的盐。本发明的其他方面涉及使用NSAID衍生物治疗炎症性疾病以及其制药组合物。
• NSAIDs derivatives and uses thereof
  申请人：Research Foundation of The City University of New York

  公开号：US10023555B2

  公开（公告）日：2018-07-17

  The present invention discloses novel compounds derived from NSAIDs and pharmaceutically acceptable salts thereof. Other aspects of the invention relate to use of the NSAID derivatives in treating inflammatory diseases and pharmaceutical compositions thereof.

  本发明公开了源自非甾体抗炎药的新型化合物及其药学上可接受的盐类。本发明的其他方面涉及非甾体抗炎药衍生物在治疗炎症性疾病中的用途及其药物组合物。
• Synthesis and biological evaluation of nitric oxide releasing derivatives of 6-amino-3-n-butylphthalide as potential antiplatelet agents
  作者：Xiaoli Wang、Linna Wang、Zhangjian Huang、Xiao Sheng、Tingting Li、Hui Ji、Jinyi Xu、Yihua Zhang

  DOI：10.1016/j.bmcl.2013.02.035

  日期：2013.4

  A series of novel nitric oxide releasing derivatives of 6-amino-3-n-butylphthalide were designed, synthesized and evaluated as potential antiplatelet agents. Compound 10b significantly inhibited the adenosine diphosphate (ADP)-induced platelet aggregation in vitro, superior to 6-amino-3-n-butylphthalide, 3-n-butylphthalide (NBP) and ticlopidine. Meanwhile 10b released moderate levels of NO, which could be beneficial for improving cardiovascular and cerebral circulation. Furthermore, 10b had an enhanced aqueous solubility relative to NBP. These findings may provide new insights into the development of novel antiplatelet agents for the treatment of thrombosis-related ischemic stroke. (C) 2013 Elsevier Ltd. All rights reserved.