3-乙酰基-1-乙基-7-甲基-1,8-二氮杂萘-4-酮 | 54756-14-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 3-乙酰基-1-乙基-7-甲基-1,8-二氮杂萘-4-酮
• 英文名称: 3-acetyl-1-ethyl-7-methyl[1,8]naphthyridin-4(1H)-one
• 英文别名: 3-acetyl-1-ethyl-7-methyl-1H-[1,8]naphthyridin-4-one；3-Acetyl-1-ethyl-7-methyl-1,8-naphthyridin-4(1H)-one；3-acetyl-1-ethyl-7-methyl-1,8-naphthyridin-4-one
• CAS: 54756-14-8
• 化学式: C₁₃H₁₄N₂O₂
• 分子量: 230.266
• InChiKey: GGPCDDJOOIYNJG-UHFFFAOYSA-N

物化性质

• 沸点：
  403.4±45.0 °C(Predicted)
• 密度：
  1.190±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  50.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  7-甲基-1,8-萘啶-4(1h)-酮 在 copper(l) iodide 碘 、 palladium diacetate 、 potassium carbonate 、 三乙胺 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 17.5h， 生成 3-乙酰基-1-乙基-7-甲基-1,8-二氮杂萘-4-酮
  参考文献：
  名称：

  Plisson, Christophe; Chenault, Jacques, Heterocycles, 1999, vol. 51, # 11, p. 2627 - 2638

  摘要：

  DOI：

文献信息

• MODIFIED iRNA AGENTS
  申请人：MANOHARAN Muthiah

  公开号：US20100076056A1

  公开（公告）日：2010-03-25

  The invention relates to iRNA agents, which preferably include a monomer in which the ribose moiety has been replaced by a moiety other than ribose that further includes a tether having one or more linking groups, in which at least one of the linking groups is a cleavable linking group. The tether in turn can be connected to a selected moiety, e.g., a ligand, e.g., a targeting or delivery moiety, or a moiety which alters a physical property. The cleavable linking group is one which is sufficiently stable outside the cell such that it allows targeting of a therapeutically beneficial amount of an iRNA agent (e.g., a single stranded or double stranded iRNA agent), coupled by way of the cleavable linking group to a targeting agent—to targets cells, but which upon entry into a target cell is cleaved to release the iRNA agent from the targeting agent. The inclusion of such a monomer can allow for modulation of a property of the iRNA agent into which it is incorporated, e.g., by using the non-ribose moiety as a point to which a ligand or other entity, e.g., a lipophilic moiety. e.g., cholesterol, is directly, or indirectly, tethered. The invention also relates to methods of making and using such modified iRNA agents.

  本发明涉及iRNA剂，其中最好包括一个单体，其中核糖基团已被替换为除核糖以外的基团，并进一步包括一个具有一个或多个连接基团的连接件，其中至少一个连接基团是可切断的连接基团。连接件反过来可以连接到所选的基团，例如，配体，例如，靶向或传递基团，或改变物理性质的基团。可切断的连接基团是足够稳定的连接基团，以便在细胞外定向治疗有益量的iRNA剂（例如，单链或双链iRNA剂），通过可切断的连接基团与靶向剂结合，以靶向细胞，但在进入靶细胞后被切断以释放iRNA剂从靶向剂中。包括这样一个单体可以允许调节iRNA剂的一个性质，将其纳入其中，例如，通过使用非核糖基团作为配体或其他实体（例如，亲脂性基团，例如，胆固醇）的连接点，直接或间接地连接。本发明还涉及制备和使用这种修改的iRNA剂的方法。
• IRNA AGENTS WITH BIOCLEAVABLE TETHERS
  申请人：MANOHARAN Muthiah

  公开号：US20100267941A1

  公开（公告）日：2010-10-21

  The invention relates to iRNA agents, which preferably include a monomer in which the ribose moiety has been replaced by a moiety other than ribose that further includes a tether having one or more linking groups, in which at least one of the linking groups is a cleavable linking group. The tether in turn can be connected to a selected moiety, e.g., a ligand, e.g., a targeting or delivery moiety, or a moiety which alters a physical property. The cleavable linking group is one which is sufficiently stable outside the cell such that it allows targeting of a therapeutically beneficial amount of an iRNA agent (e.g., a single stranded or double stranded iRNA agent), coupled by way of the cleavable linking group to a targeting agent—to targets cells, but which upon entry into a target cell is cleaved to release the iRNA agent from the targeting agent.

  本发明涉及iRNA代理，它们包括一个单体，其中核糖基团已被替换为其他核糖基团，进一步包括一个具有一个或多个连接基团的连接体，其中至少一个连接基团是可裂解的连接基团。 连接体反过来可以连接到所选的基团，例如配体，例如靶向或递送基团，或改变物理性质的基团。 可裂解的连接基团足够稳定，使其允许将治疗上有益的iRNA代理（例如单链或双链iRNA代理）通过可裂解的连接基团耦合到靶向剂，以靶向细胞，但进入目标细胞后会裂解以释放iRNA代理。
• iRNA AGENTS WITH BIOCLEAVABLE TETHERS
  申请人：Alnylam Pharmaceuticals, Inc.

  公开号：US20130281685A1

  公开（公告）日：2013-10-24

  The invention relates to iRNA agents, which preferably include a monomer in which the ribose moiety has been replaced by a moiety other than ribose that further includes a tether having one or more linking groups, in which at least one of the linking groups is a cleavable linking group. The tether in turn can be connected to a selected moiety, e.g., a ligand, e.g., a targeting or delivery moiety, or a moiety which alters a physical property. The cleavable linking group is one which is sufficiently stable outside the cell such that it allows targeting of a therapeutically beneficial amount of an iRNA agent (e.g., a single stranded or double stranded iRNA agent), coupled by way of the cleavable linking group to a targeting agent—to targets cells, but which upon entry into a target cell is cleaved to release the iRNA agent from the targeting agent.

  本发明涉及iRNA代理，其优选包括一个单体，其中核糖基团已被替换为除核糖以外的基团，进一步包括一个具有一个或多个连接基团的缆绳，其中至少一个连接基团是可切断的连接基团。缆绳反过来可以连接到所选的基团，例如配体，例如定向或递送基团，或改变物理性质的基团。可切断的连接基团是足够稳定的连接基团，使其允许通过可切断的连接基团耦合的iRNA代理（例如单链或双链iRNA代理）针对细胞进行治疗上有益的量的靶向，但在进入目标细胞时被切断以释放iRNA代理从定向代理中。
• iRNA AGENTS WITH BIOCLEAVABLE TETHERS
  申请人：Alnylam Pharmaceuticals, Inc.

  公开号：US20150073133A1

  公开（公告）日：2015-03-12

  The invention relates to iRNA agents, which preferably include a monomer in which the ribose moiety has been replaced by a moiety other than ribose that further includes a tether having one or more linking groups, in which at least one of the linking groups is a cleavable linking group. The tether in turn can be connected to a selected moiety, e.g., a ligand, e.g., a targeting or delivery moiety, or a moiety which alters a physical property. The cleavable linking group is one which is sufficiently stable outside the cell such that it allows targeting of a therapeutically beneficial amount of an iRNA agent (e.g., a single stranded or double stranded iRNA agent), coupled by way of the cleavable linking group to a targeting agent—to targets cells, but which upon entry into a target cell is cleaved to release the iRNA agent from the targeting agent.

  本发明涉及iRNA药剂，其中最好包括一个单体，其中核糖基团已被其他核糖以外的基团所取代，该基团还包括一个具有一个或多个连接基团的连接件，其中至少一个连接基团是可断裂的连接基团。连接件可以连接到所选的基团，例如配体，例如靶向或递送基团，或改变物理性质的基团。可断裂的连接基团是足够稳定的连接基团，以在细胞外允许将治疗上有益量的iRNA药剂（例如单链或双链iRNA药剂），通过可断裂的连接基团与靶向剂耦合，以靶向细胞，但在进入靶细胞后被断裂以释放iRNA药剂从靶向剂中。
• GARAMSZEGI, FERENC;LEHOCZKY, GABOR;SOMFAI, EVA;BAN, KAROLY;HERNADI, GYULA+
  作者：GARAMSZEGI, FERENC、LEHOCZKY, GABOR、SOMFAI, EVA、BAN, KAROLY、HERNADI, GYULA+

  DOI：——

  日期：——