2,2'-丙烷-1,3-二基二噁丙环 | 80047-23-0

• 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: 2,2'-丙烷-1,3-二基二噁丙环
• 英文名称: 1,6-dihydro-1,2-dimethyl-6-oxo-(3,4'-bipyridine)-5-carbonitrile
• 英文别名: 1,2-Dihydro-1,6-dimethyl-2-oxo-5-(4-pyridinyl)nicotinonitrile；1,2-Dimethyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile；1,6-dimethyl-2-oxo-5-pyridin-4-ylpyridine-3-carbonitrile
• CAS: 80047-23-0
• 化学式: C₁₃H₁₁N₃O
• 分子量: 225.25
• InChiKey: QFXODFMMECIZAR-UHFFFAOYSA-N

物化性质

• 沸点：
  420.2±45.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  57
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(4-pyridinyl)-2-(dimethylamino)ethenyl methyl ketone 、 2-氰基-N-甲基乙酰胺 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 2,2'-丙烷-1,3-二基二噁丙环
  参考文献：
  名称：

  N-Hydroxy-1,2-dihydro-2-oxo-5-(pyridinyl)-nicotinimidamide and their

  摘要：

  N-羟基-1-R.sub.1-1,2-二氢-2-氧-5-PY-6-R-烟酰亚胺或其药用酸盐，可用作心力衰竭药物，通过将1-R.sub.1-1,2-二氢-2-氧-5-PY-6-R-烟酰腈与羟胺反应制备，然后通过与多聚磷酸反应转化为相应的有益心力药物的1-R.sub.1-3-氨基-5-PY-6-R-2(1H)-吡啶酮，其中R.sub.1为氢、较低烷基和较低羟基烷基，R为氢或较低烷基，PY为4-或3-吡啶基或带有一个或两个较低烷基取代基的4-或3-吡啶基。

  公开号：

  US04305948A1

文献信息

• Aerosol pirfenidone and pyridone analog compounds and uses thereof
  申请人：Avalyn Pharma Inc.

  公开号：US10028966B2

  公开（公告）日：2018-07-24

  Disclosed herein are formulations of pirfenidone or pyridone analog compounds for aerosolization and use of such formulations for aerosol administration of pirfenidone or pyridone analog compounds for the prevention or treatment of various fibrotic and inflammatory diseases, including disease associated with the lung, heart, kidney, liver, eye and central nervous system. In some embodiments, pirfenidone or pyridone analog compound formulations and delivery options described herein allow for efficacious local delivery of pirfenidone or pyridone analog compound. Compositions include all formulations, kits, and device combinations described herein. Methods include inhalation procedures, indications and manufacturing processes for production and use of the compositions described.

  本文公开了用于气雾化的吡非尼酮或吡啶酮类似物化合物制剂，以及使用此类制剂气雾给药吡非尼酮或吡啶酮类似物化合物以预防或治疗各种纤维化和炎症性疾病，包括与肺、心、肾、肝、眼和中枢神经系统有关的疾病。在某些实施方案中，本文所述的吡非尼酮或吡啶酮类似化合物制剂和给药方案可实现吡非尼酮或吡啶酮类似化合物的有效局部给药。组合物包括本文所述的所有制剂、试剂盒和装置组合。方法包括用于生产和使用所述组合物的吸入程序、适应症和生产工艺。
• Aerosol pirfenidone and pyridone analog compound and uses thereof
  申请人：Avalyn Pharma Inc.

  公开号：US11071741B2

  公开（公告）日：2021-07-27

  Disclosed herein are formulations of pirfenidone or pyridone analog compounds for aerosolization and use of such formulations for aerosol administration of pirfenidone or pyridone analog compounds for the prevention or treatment of various fibrotic and inflammatory diseases, including disease associated with the lung, heart, kidney, liver, eye and central nervous system. In some embodiments, pirfenidone or pyridone analog compound formulations and delivery options described herein allow for efficacious local delivery of pirfenidone or pyridone analog compound. Compositions include all formulations, kits, and device combinations described herein. Methods include inhalation procedures, indications and manufacturing processes for production and use of the compositions described.

  本文公开了用于气雾化的吡非尼酮或吡啶酮类似物化合物制剂，以及使用此类制剂气雾给药吡非尼酮或吡啶酮类似物化合物以预防或治疗各种纤维化和炎症性疾病，包括与肺、心、肾、肝、眼和中枢神经系统有关的疾病。在某些实施方案中，本文所述的吡非尼酮或吡啶酮类似化合物制剂和给药方案可实现吡非尼酮或吡啶酮类似化合物的有效局部给药。组合物包括本文所述的所有制剂、试剂盒和装置组合。方法包括用于生产和使用所述组合物的吸入程序、适应症和生产工艺。
• LESHER, G. Y.;BRUNDAGE, R. P.
  作者：LESHER, G. Y.、BRUNDAGE, R. P.

  DOI：——

  日期：——
• AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF
  申请人：SURBER Mark William

  公开号：US20120192861A1

  公开（公告）日：2012-08-02

  Disclosed herein are formulations of pirfenidone or pyridone analog compounds for aerosolization and use of such formulations for aerosol administration of pirfenidone or pyridone analog compounds for the prevention or treatment of various fibrotic and inflammatory diseases, including disease associated with the lung, heart, kidney, liver, eye and central nervous system. In some embodiments, pirfenidone or pyridone analog compound formulations and delivery options described herein allow for efficacious local delivery of pirfenidone or pyridone analog compound. Compositions include all formulations, kits, and device combinations described herein. Methods include inhalation procedures, indications and manufacturing processes for production and use of the compositions described.
• Multi-API Loading Prodrugs
  申请人：Alkermes Pharma Ireland Limited

  公开号：US20160024011A1

  公开（公告）日：2016-01-28

  The present invention accomplishes this by having multiple molecules of parent drugs attached to carrier moieties and by extending the period during which the parent drug is released and absorbed after administration to the patient and providing a longer duration of action per dose than the parent drug itself. Prodrug conjugates are suitable for sustained delivery of heteroaryl, lactam-amide-, imide-, sulfonamide-, carbamate-, urea-, benzamide-, acylaniline-, cyclic amide- and tertiary amine-containing parent drugs that are substituted at the amide nitrogen or oxygen atom with labile aldehyde-linked prodrug moieties. The carrier groups of the prodrugs can be hydrophobic to reduce the polarity and solubility of the parent drug under physiological conditions.