(+/-)-7-methyl-2-(morpholin-4-yl)-9-(1-{[2-(2H-tetrazol-5-yl)phenyl]amino}ethyl)pyrido[1,2-a]pyrimid-4-one | 663620-73-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (+/-)-7-methyl-2-(morpholin-4-yl)-9-(1-{[2-(2H-tetrazol-5-yl)phenyl]amino}ethyl)pyrido[1,2-a]pyrimid-4-one
• 英文别名: (+/-)-7-methyl-2-(morpholin-4-yl)-9-(1-{[2-(2H-tetrazol-5-yl)phenyl]amino}ethyl)pyrido[1,2-a]pyrimidin-4-one；7-methyl-2-morpholin-4-yl-9-[1-[2-(2H-tetrazol-5-yl)anilino]ethyl]pyrido[1,2-a]pyrimidin-4-one
• CAS: 663620-73-3
• 化学式: C₂₂H₂₄N₈O₂
• 分子量: 432.485
• InChiKey: VOKGKARHNCQWAZ-UHFFFAOYSA-N

物化性质

• 沸点：
  690.5±65.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  9-(1-羟基乙基)-7-甲基-2-(吗啉-4-基)-4H-吡啶并[1,2-a]嘧啶-4-酮 在 三溴化磷 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 27.0h， 生成 (+/-)-7-methyl-2-(morpholin-4-yl)-9-(1-{[2-(2H-tetrazol-5-yl)phenyl]amino}ethyl)pyrido[1,2-a]pyrimid-4-one
  参考文献：
  名称：

  Discovery of 9-(1-phenoxyethyl)-2-morpholino-4-oxo-pyrido[1,2-a]pyrimidine-7-carboxamides as oral PI3Kβ inhibitors, useful as antiplatelet agents

  摘要：

  Optimization of AZD6482 (2), the first antiplatelet PI3K beta inhibitor evaluated in man, focused on improving the pharmacokinetic profile to a level compatible with once daily oral dosing as well as achieving adequate selectivity towards PI3K alpha to minimize the risk for insulin resistance. Structure-based design and optimization of DMPK properties resulted in (R)-16, a novel, orally bioavailable PI3K beta inhibitor with potent in vivo anti-thrombotic effect with excellent separation to bleeding risk and insulin resistance. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.07.007

文献信息

• [EN] INHIBITION OF PHOSPHOINOSITIDE 3-KINASE BETA<br/>[FR] INHIBITION DE LA PHOSPHOINOSITIDE 3-KINASE BETA
  申请人：KINACIA PTY LTD

  公开号：WO2004016607A1

  公开（公告）日：2004-02-26

  The present invention relates to selective inhibitors of phosphoinositide (PI) 3-kinase ß, use of the selective inhibitors in anti-thrombotic therapy, and a method for screening compounds useful for the new anti-thrombotic therapy by detecting selective inhibitory activity of PI 3-kinase ß of the compound. The invention also relates to novel compounds that are inhibitors of PI 3-kinase.

  本发明涉及磷酸肌醇（PI）3-激酶β的选择性抑制剂，以及这些选择性抑制剂在抗血栓治疗中的应用，以及通过检测化合物对PI 3-激酶β的选择性抑制活性来筛选对新型抗血栓治疗有用的化合物的方法。该发明还涉及作为PI 3-激酶抑制剂的新化合物。
• Inhibition Of Phosphoinositide 3-Kinase Beta
  申请人：Jackson Shaun P.

  公开号：US20080319021A1

  公开（公告）日：2008-12-25

  The present invention relates to selective inhibitors of phosphoinositide (PI) 3-kinase β, use of the selective inhibitors in anti-thrombotic therapy, and a method for screening compounds useful for the new anti-thrombotic therapy by detecting selective inhibitory activity of PI 3-kinase β of the compound. The invention also relates to novel compounds that are inhibitors of PI 3-kinase.

  本发明涉及选择性磷脂酰肌醇（PI）3-激酶β的抑制剂，使用这些选择性抑制剂进行抗血栓治疗的方法，以及通过检测化合物的PI 3-激酶β的选择性抑制活性筛选有用于新抗血栓治疗的化合物的方法。该发明还涉及新型PI 3-激酶抑制剂化合物。
• Inhibition of phsphoinostide 3-dinase beta
  申请人：Jackson P. Shaun

  公开号：US20060276470A1

  公开（公告）日：2006-12-07

  The present invention relates to selective inhibitors of phosphoinositide (PI) 3-kinase β, use of the selective inhibitors in anti-thrombotic therapy, and a method for screening compounds useful for the new anti-thrombotic therapy by detecting selective inhibitory activity of PI 3-kinase β of the compound. The invention also relates to novel compounds that are inhibitors of PI 3-kinase.

  本发明涉及选择性抑制磷脂酰肌醇（PI）3-激酶β的抑制剂，使用这些选择性抑制剂进行抗血栓治疗的方法，以及通过检测化合物的PI 3-激酶β的选择性抑制活性筛选有用于新的抗血栓治疗的化合物的方法。本发明还涉及新的PI 3-激酶抑制剂化合物。
• Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof
  申请人：Race Oncology Ltd.

  公开号：US11135201B2

  公开（公告）日：2021-10-05

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to bisantrene or derivatives, analogs, or prodrugs thereof. Such methods and compositions are particularly useful for treatment of malignancies.

  本发明描述了通过提高单一疗法的疗效或减少副作用来改善以前因治疗效果不理想而受到限制的治疗剂的疗效的方法和组合物。这种方法和组合物特别适用于双蒽或其衍生物、类似物或原药。此类方法和组合物尤其适用于恶性肿瘤的治疗。
• Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof
  申请人：Race Oncology Ltd.

  公开号：US11147800B2

  公开（公告）日：2021-10-19

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to bisantrene or derivatives, analogs, or prodrugs thereof.

  本发明描述了通过提高单一疗法的疗效或减少副作用来改善以前因治疗效果不理想而受到限制的治疗剂的疗效的方法和组合物。这些方法和组合物尤其适用于双蒽或其衍生物、类似物或原药。