乙基3-氧代-3,4,5,7-四氢[1,2]恶唑并[5,4-c]吡啶-6(2H)-羧酸酯 | 85118-32-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 乙基3-氧代-3,4,5,7-四氢[1,2]恶唑并[5,4-c]吡啶-6(2H)-羧酸酯
• 英文名称: ethyl 3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-6-carboxylate
• 英文别名: Ethyl 3,4,5,7-tetrahydro-3-oxoisoxazolo(5,4-c)pyridine-6(2H)-carboxylate；ethyl 3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
• CAS: 85118-32-7
• 化学式: C₉H₁₂N₂O₄
• 分子量: 212.205
• InChiKey: VCEIKKVLKZUXGH-UHFFFAOYSA-N

物化性质

• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Isoxazolo(5,4-c)pyridine derivatives, their preparation and pharmaceutical compositions containing them
  申请人：H.Lundbeck & Co., A/S

  公开号：EP0000338A2

  公开（公告）日：1979-01-24

  Isoxazolo-(5,4-C)-pyridine derivatives of the formula in which R" is hydrogen, acetyl or a group of the formula R5OCO- in which Rs is C1-4-alkyl, phenyl, substituted phenyl; phenylalkyl or substituted phenylalkyl and salts thereof, and intermediates IV, VIII', IX' and V. Compounds (I) may be prepared according to the following reaction scheme: in which Z is hydrogen or a protecting group, T is a group convertible by hydrolysis into an oxo group, Q is a leaving group and W is hydrogen or a group removable to yield the free hydroxy group. Compounds (I) exhibit a y-aminobutyric acid related activity and are useful as active ingredients in pharmaceutical compositions which may, optionally, further contain a minor tranquilizer or a neuroleptic.

  式中的异噁唑-(5,4-C)-吡啶衍生物 其中 R "为氢、乙酰基或式 R5OCO-的基团，其中 Rs 为 C1-4-烷基、苯基、取代苯基；苯基烷基或取代苯基烷基及其盐，以及中间体 IV、VIII'、IX'和 V。 化合物 (I) 可根据以下反应方案制备： 其中 Z 为氢或保护基，T 为可通过水解转化为氧代基团的基团，Q 为离去基团，W 为氢或可去除以产生游离羟基的基团。 化合物(I)具有与 y-氨基丁酸相关的活性，可作为药物组合物中的活性成分，这些药物组合物还可进一步含有轻微的镇静剂或神经安定剂。
• PHARMACEUTICAL COMPOSITION FOR TREATING ANGELMAN SYNDROME
  申请人：Ovid Therapeutics, Inc.

  公开号：EP3795156A1

  公开（公告）日：2021-03-24

  The invention relates to a pharmaceutical composition comprising an effective amount of 4,5,6,7- tetrahydroisoxazolo(5,4-c)pyridin-3-ol (THIP) or a pharmaceutically effective salt thereof and a pharmaceutically acceptable carrier or excipient for use in a method of treating a human subject with Angelman syndrome, wherein the pharmaceutical composition is administered to the subject at a dosage of 0.1-5.0 mg THIP / kg.

  本发明涉及一种药物组合物，该药物组合物包含有效量的 4,5,6,7- 四氢异恶唑并(5,4-c)吡啶-3-醇 (THIP) 或其药学上有效的盐和药学上可接受的载体或赋形剂，用于治疗人类安杰曼综合征患者的方法，其中该药物组合物以 0.1-5.0 毫克 THIP / 千克的剂量给药。
• METHODS OF INCREASING TONIC INHIBITION AND TREATING SECONDARY INSOMNIA
  申请人：Ovid Therapeutics, Inc.

  公开号：EP3151832A1

  公开（公告）日：2017-04-12
• METHODS OF INCREASING TONIC INHIBITION AND TREATING ANGELMAN SYNDROME
  申请人：Ovid Therapeutics, Inc.

  公开号：EP3372229B1

  公开（公告）日：2021-03-24
• METHODS AND COMPOSITIONS FOR REDUCING TACTILE DYSFUNCTION AND ANXIETY ASSOCIATED WITH AUTISM SPECTRUM DISORDER, RETT SYNDROME, AND FRAGILE X SYNDROME
  申请人：President and Fellows of Harvard College

  公开号：US20200179374A1

  公开（公告）日：2020-06-11

  The present invention features a method of reducing tactile dysfunction or anxiety in a subject diagnosed with Autism Spectrum Disorder, Rett Syndrome, or Fragile X syndrome by administering a GABA A agent having reduced blood brain barrier or by expressing a nucleic acid encoding an exogenous alpha or beta subunit of a GABA A receptor in dorsal root ganglion neurons in the subject using a vector.