chromone oxime | 61348-46-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: chromone oxime
• 英文别名: 4-H-Benzopyran-4-on-Oxim；(NE)-N-chromen-4-ylidenehydroxylamine
• CAS: 61348-46-7
• 化学式: C₉H₇NO₂
• 分子量: 161.16
• InChiKey: IPDGWIYTNQXKSP-CSKARUKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  色酮 在 羟胺 作用下， 生成 chromone oxime
  参考文献：
  名称：

  Colonge; Guyot, Bulletin de la Societe Chimique de France, 1958, p. 325,328

  摘要：

  DOI：

文献信息

• [EN] NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS<br/>[FR] NOUVEAUX DÉRIVÉS D'OXIMES ET LEUR UTILISATION COMME MODULATEURS ALLOSTÉRIQUES DE RÉCEPTEURS MÉTABOTROPIQUES DU GLUTAMATE
  申请人：DOMAIN THERAPEUTICS

  公开号：WO2011051478A1

  公开（公告）日：2011-05-05

  The present invention provides new oxime derivatives of the general formula (I), pharmaceutical compositions containing them and their use for the treatment and/or prophylaxis of conditions associated with altered glutamatergic signalling and/or functions, and/or conditions which can be affected by alteration of glutamate level or signalling in mammals. This invention further provides new oxime derivatives of the general formula (I) consisting of modulators of nervous system receptors sensitive to glutamate, which makes them particularly suitable for the treatment and/or prophylaxis of acute and chronic neurological and/or psychiatric disorders. In particular embodiments, the new oxime derivatives of the invention are modulators of metabotropic glutamate receptors (mGluRs). The invention further provides positive allosteric modulators of mGluRs and more specifically positive alSosteric modulators of mGiuR4.

  本发明提供了一般式（I）的新羟肟衍生物，包含它们的药物组合物以及它们用于治疗和/或预防与改变的谷氨酸信号和/或功能有关的疾病，和/或在哺乳动物中改变谷氨酸水平或信号会影响的疾病。本发明进一步提供了一般式（I）的新羟肟衍生物，它们是对谷氨酸敏感的神经系统受体的调节剂，因此特别适用于治疗和/或预防急性和慢性神经和/或精神障碍。在特定实施例中，本发明的新羟肟衍生物是代谢型谷氨酸受体（mGluRs）的调节剂。本发明还提供了mGluRs的正向变构调节剂，更具体地说是mGluR4的正向变构调节剂。
• [EN] NOVEL CHROMONE OXIME DERIVATIVE AND ITS USE AS ALLOSTERIC MODULATOR OF METABOTROPIC GLUTAMATE RECEPTORS<br/>[FR] NOUVEAU DÉRIVÉ D'OXIME DE CHROMONE ET SON UTILISATION COMME MODULATEUR ALLOSTÉRIQUE DE RÉCEPTEURS MÉTABOTROPES AU GLUTAMATE
  申请人：PREXTON THERAPEUTICS SA

  公开号：WO2016030444A1

  公开（公告）日：2016-03-03

  The present invention provides a novel chromone oxime derivative of formula (I), which is a modulator of nervous system receptors sensitive to glutamate and, furthermore, presents an advantageously high brain penetration upon oral administration. The invention also relates to a pharmaceutical composition containing this compound, and to its use for the treatment or prevention of conditions associated with altered glutamatergic signalling and/or functions, or conditions which can be affected by alteration of glutamate level or signalling, particularly acute and chronic neurological and/or psychiatric disorders.

  本发明提供了一种新的咖啡因氧肟衍生物，其化学式为（I），该化合物是对谷氨酸敏感的神经系统受体的调节剂，并且在口服给药后具有有利的高脑透过性。该发明还涉及含有该化合物的药物组合物，以及其用于治疗或预防与改变的谷氨酸信号传导和/或功能有关的疾病或可能受到谷氨酸水平或信号传导改变影响的疾病，特别是急性和慢性神经和/或精神疾病。
• Reaction of chromones with hydroxylamine in anhydrous methanol
  作者：Vince Szabó、János Borbély、Edit Theisz、Sándor Nagy

  DOI：10.1016/s0040-4020(01)87646-8

  日期：1986.1

  The reaction of 4H-1-benzopyran-4-one (chromone, ,) and its substituted derivatives with hydroxylamine in aqueous alcohols gives isoxazoles and , as the major products, whereas is transformed mainly into with hydroxylamine hydrochloride in anhydrous methanol, compounds , and can be also isolated, and the formation of and has been detected, as well. Depending on the character of the substituent, substituted

  4H-1-苯并吡喃-4-酮的反应（色酮，，）及其取代的衍生物与羟胺在含水醇给出异恶唑并，作为主要产品，而被变换为主成与在无水甲醇，化合物盐酸羟胺，和也可以分离，并且形成和已被检测到，以及。根据取代基的性质，取代的色得到，或作为可分离的主要产物。根据本实验，在酸催化的甲醇中加成生成的化合物被视为色酮肟形成的关键中间产物。
• The reactions of chromone and 2-hydroxychromanone with hydroxylamine
  作者：Vince Szabó、János Borbély、Edit Theisz、Jenö Borda、Géza Janzsó

  DOI：10.1016/s0040-4020(01)91189-5

  日期：1984.1

  Chromone and 2-hydroxychromanone react with hydroxylamine to give several products through attack at Ca2. The aldoxime 2 is transformed to dioxime 4 or to isoxazole 3. The dioxime exists as a tautomer mixture; it reacts in several ways, giving chromoneoxime 8, isoxazole 10 and a new isoxazoline 9.

  苯甲酮和2-羟基苯并二氢吡喃酮与羟胺反应，通过攻击Ca2产生几种产物。醛肟2被转化为二肟4或异恶唑3。二肟以互变异构体混合物形式存在；它以几种方式反应，生成苯二甲肟8，异恶唑10和新的异恶唑啉9。
• Chromone oxime derivative and its use as allosteric modulator of metabotropic glutamate receptors
  申请人：Prexton Therapeutics SA

  公开号：US10017521B2

  公开（公告）日：2018-07-10

  The present invention provides a novel chromone oxime derivative of formula (I), which is a modulator of nervous system receptors sensitive to glutamate and, furthermore, presents an advantageously high brain penetration upon oral administration. The invention also relates to a pharmaceutical composition containing this compound, and to its use for the treatment or prevention of conditions associated with altered glutamatergic signalling and/or functions, or conditions which can be affected by alteration of glutamate level or signalling, particularly acute and chronic neurological and/or psychiatric disorders.

  本发明提供了一种新的咖啡酸酮衍生物，其化学式为(I)，可以调节对谷氨酸敏感的神经系统受体，并且在口服给药后具有优越的血脑屏障穿透性。本发明还涉及包含该化合物的药物组合物，以及其用于治疗或预防与改变谷氨酸信号和/或功能有关的疾病或可以受到谷氨酸水平或信号改变影响的疾病，特别是急性和慢性神经系统和/或精神障碍的用途。