5,6,7,8-四氢吡啶并[3,4-D]嘧啶-4(4AH)-酮盐酸盐 | 859826-41-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 中文名称: 5,6,7,8-四氢吡啶并[3,4-D]嘧啶-4(4AH)-酮盐酸盐
• 英文名称: 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
• 英文别名: 5,6,7,8-Tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one；5,6,7,8-Tetrahydropyrido[3,4-D]pyrimidin-4(3H)-one；5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
• CAS: 859826-41-8
• 化学式: C₇H₉N₃O
• 分子量: 151.168
• InChiKey: DVHCRTQZUZFLAY-UHFFFAOYSA-N

物化性质

• 沸点：
  320.3±52.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  65.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,6,7,8-四氢吡啶并[3,4-D]嘧啶-4(4AH)-酮盐酸盐 在 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 三乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 二甲基亚砜 、 1,2-二氯乙烷 为溶剂， 反应 0.5h， 生成 4-(4-((1,2,4-thiadiazole-5-yl)amino)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)-2-(trifluoromethyl)benzonitrile
  参考文献：
  名称：

  JP5851663

  摘要：

  公开号：
• 作为产物：
  描述：

  7-苄基-5,6,7,8-四氢吡啶并[3,4-d]嘧啶-4(3H)-酮 在 1,4-环己二烯 、 palladium(II) hydroxide 作用下， 以 乙醇 为溶剂， 生成 5,6,7,8-四氢吡啶并[3,4-D]嘧啶-4(4AH)-酮盐酸盐
  参考文献：
  名称：

  发现和合成6,7,8,9-四氢-5 H-嘧啶-[4,5- d ]氮杂唑作为新型TRPV1拮抗剂

  摘要：

  利用四氢嘧啶并氮杂卓核作为哌嗪-尿素的生物等效替代物，导致发现了一系列新的TRPV1强效拮抗剂。已经确定四氢嘧啶并氮杂卓具有良好的体外和体内效力以及可接受的物理性质。

  DOI：

  10.1016/j.bmcl.2010.09.023

文献信息

• Bicycloheteroarylamine compounds as ion channel ligands and uses thereof
  申请人：Kelly G. Michael

  公开号：US20050277643A1

  公开（公告）日：2005-12-15

  Amine compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

  抗氨化合物的公开披露，其化学式如下所示： 这些化合物可以制备成药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，例如疼痛、炎症、创伤等。
• [EN] BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF<br/>[FR] COMPOSES BICYCLOHETEROARYLAMINE COMME LIGANDS DE CANAUX IONIQUES ET UTILISATIONS DESDITS COMPOSES
  申请人：RENOVIS INC

  公开号：WO2005066171A1

  公开（公告）日：2005-07-21

  Amine compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

  抗氨化合物的公开披露，其化学式如下所示：这些化合物可以制备成药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，例如疼痛、炎症、创伤等。
• [EN] SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS<br/>[FR] COMPOSÉS FURANOPYRIMIDINE SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE PDE1
  申请人：DART NEUROSCIENCE LLC

  公开号：WO2019104285A1

  公开（公告）日：2019-05-31

  Substituted furanopyrimidine chemical entities of Formula (I): wherein Ra has any of the values described herein, and compositions comprising such chemical entities; methods of making them; and their use in a wide range of methods, including metabolic and reaction kinetic studies; detection and imaging techniques; radioactive therapies; modulating and treating disorders mediated by PDE1 activity or dopaminergic signaling; treating neurological disorders, CNS disorders, dementia, neurodegenerative diseases, and trauma-dependent losses of function; treating stroke, including cognitive and motor deficits during stroke rehabilitation; facilitating neuroprotection and neurorecovery; enhancing the efficiency of cognitive and motor training, including animal skill training protocols; and treating peripheral disorders, including cardiovascular, renal, hematological, gastroenterological, liver, cancer, fertility, and metabolic disorders.

  化学实体的呋喃嘧啶替代物的化学结构如下（I）：其中Ra具有以下所述的任何值，并含有此类化学实体的组合物；制备它们的方法；以及它们在广泛应用中的使用，包括代谢和反应动力学研究；检测和成像技术；放射性治疗；调节和治疗由PDE1活性或多巴胺信号传导介导的疾病；治疗神经系统疾病，中枢神经系统疾病，痴呆症，神经退行性疾病和依赖创伤的功能丧失；治疗中风，包括中风康复期间的认知和运动缺陷；促进神经保护和神经恢复；增强认知和运动训练的效率，包括动物技能训练方案；以及治疗周围疾病，包括心血管，肾脏，血液，胃肠，肝脏，癌症，生育和代谢性疾病。
• SUBSTITUTED METHYL PYRAZOLOPYRIMIDINONE AND METHYL IMIDAZOPYRAZINONE COMPOUNDS AS PDE1 INHIBITORS
  申请人：Dart NeuroScience, LLC

  公开号：US20190177327A1

  公开（公告）日：2019-06-13

  A chemical entity of Formula (I) or Formula (II): wherein R a , R b , R e , and R f have any of the values described herein, and compositions comprising such chemical entities; methods of making them; and their use in a wide range of methods, including metabolic and reaction kinetic studies; detection and imaging techniques; radioactive treatments; modulating and treating disorders mediated by PDE1 activity or dopaminergic signaling; treating neurological disorders, CNS disorders, dementia, neurodegenerative diseases, and trauma-dependent losses of function; treating stroke, including cognitive and motor deficits during stroke rehabilitation; facilitating neuroprotection and neurorecovery; enhancing the efficiency of cognitive and motor training, including animal skill training protocols; and treating peripheral disorders, including cardiovascular, renal, hematological, gastroenterological, liver, cancer, fertility, and metabolic disorders.

  化学实体的化学式（I）或化学式（II）：其中Ra、Rb、Re和Rf可以具有本文中描述的任何值，以及包含这种化学实体的组合物；制备它们的方法；以及它们在各种方法中的使用，包括代谢和反应动力学研究；检测和成像技术；放射性治疗；调节和治疗由PDE1活性或多巴胺信号传导介导的疾病；治疗神经系统疾病、中枢神经系统疾病、痴呆、神经退行性疾病以及依赖创伤的功能丧失；治疗中风，包括中风康复期间的认知和运动功能障碍；促进神经保护和神经恢复；增强认知和运动训练的效率，包括动物技能训练方案；以及治疗外周疾病，包括心血管、肾脏、血液、胃肠、肝脏、癌症、生育和代谢紊乱。
• Mitotic Kinesin Inhibitors
  申请人：Coleman Paul J.

  公开号：US20080139586A1

  公开（公告）日：2008-06-12

  The present invention relates to fluorinated aminoalkyl-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidine derivatives that are useful for treating cellular proliferative diseases, for treating disorders associated with KSP kinesin activity, and for inhibiting KSP kinesin. The invention also related to compositions which comprise these compounds, and methods of using them to treat cancer in mammals.

  本发明涉及氟化氨基烷基-4-氧代-3,4-二氢吡啶[3,4-d]嘧啶衍生物，其可用于治疗细胞增殖性疾病，治疗与KSP肌动蛋白活性相关的疾病，并抑制KSP肌动蛋白。本发明还涉及包括这些化合物的组合物以及使用它们治疗哺乳动物癌症的方法。