2,3-二氧代丁酸 | 4374-46-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 中文名称: 2,3-二氧代丁酸
• 英文名称: 2,3-dioxobutyric acid
• 英文别名: dioxobutanoic acid；dioxobutyric acid；2,3-dioxobutanoic acid
• CAS: 4374-46-3
• 化学式: C₄H₄O₄
• 分子量: 116.073
• InChiKey: WYIVDYGTKGEJLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  2,3-二氧代丁酸 、 1-萘甲基胺 以 乙腈 为溶剂， 生成 5-甲基-2-萘-1-YL-3H-咪唑-4-羧酸乙酯
  参考文献：
  名称：

  Method of treating hypertension using substituted

  摘要：

  本披露描述了含有某些取代的咪唑并[1,5-d]-1,2,4-三嗪-1(2H)-酮的物质组成和使用该物质组成治疗高血压的方法。

  公开号：

  US04743586A1
• 作为产物：
  描述：

  乙酰乙酸乙酯 在 sodium nitrite 作用下， 以 (2S)-N-methyl-1-phenylpropan-2-amine hydrate 、 正己烷 、 水 、 溶剂黄146 为溶剂， 生成 2,3-二氧代丁酸
  参考文献：
  名称：

  Method of treating hypertension using substituted

  摘要：

  本披露描述了含有某些取代的咪唑并[1,5-d]-1,2,4-三嗪-1(2H)-酮的物质组成和使用该物质组成治疗高血压的方法。

  公开号：

  US04743586A1

文献信息

• Modulators of ATP-binding cassette transporters
  申请人：Ruah S. Hadida Sara

  公开号：US20070105833A1

  公开（公告）日：2007-05-10

  4-amido-pyrimidine compounds, derivatives and compositions thereof, and synthetic methods described herein are useful for modulating ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”). The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及4-氨基嘧啶化合物、衍生物及其组合物，以及其合成方法，用于调节ATP结合盒（“ABC”）转运蛋白或其片段，包括囊性纤维化跨膜导电调节因子（“CFTR”）。本发明还涉及使用这样的调节剂治疗ABC转运蛋白介导的疾病的方法。
• Synthesis and biological investigation of potential atypical antipsychotics with a tropane core. Part 1
  作者：Tomasz Słowiński、Jacek Stefanowicz、Maciej Dawidowski、Jerzy Kleps、Stanisław Czuczwar、Marta Andres-Mach、Jarogniew J. Łuszczki、Gabriel Nowak、Katarzyna Stachowicz、Bernadeta Szewczyk、Anna Sławińska、Aleksander P. Mazurek、Andrzej Mazurek、Franciszek Pluciński、Irena Wolska、Franciszek Herold

  DOI：10.1016/j.ejmech.2011.07.022

  日期：2011.9

  The synthesis, structure, in vitro and in vivo pharmacological activities of 3 beta-acylamine derivatives of tropane (4a-n, 5a-g, 6a,b, 8a-c) are described.Among the investigated compounds, several displayed very high (in nM) affinity for the monoamine receptors 5-HT1A, 5-HT2A, and D-2.The most interesting agent 6b revealed very high affinity for the 5-HT2A and D-2 receptors and high affinity for the 5-HT1A receptor. The in vivo head twitch model was used to demonstrate antagonism of the 5-HT2A receptor subtype by this compound. In another test, 6b caused hypothermia in mice, which was not attenuated by WAY 100635. In the climbing test, the compound did not significantly modify climbing behaviour following apomorphine administration. Moreover, 6b significantly reduced locomotor activity in mice.Molecular docking studies using a homology model of the 5-HT1A receptor revealed a significant role of the N-8 atom of the tropane core in stabilising the ligand receptor complex due to strong hydrogen bonding with Asp116 located in the TMH 3 helix. Analogically, in a homology model of the 5-HT2A receptor, the N-8 atom formed a hydrogen bond with Gly369. In another homology model of the D-2 receptor, strong hydrogen bonding of the amide moiety in the 3 beta position of the tropane nucleus with Asp85 was observed. Compound 6b displayed a favourable Meltzer index (1.21) which is a feature of atypical antipsychotic agents. (C) 2011 Elsevier Masson SAS. All rights reserved.
• Method of treating hypertension using substituted
  申请人：American Cyanamid Company

  公开号：US04743586A1

  公开（公告）日：1988-05-10

  This disclosure describes compositions of matter containing certain substituted imidazo[1,5-d]-1,2,4-triazin-1(2H)-ones and the method of treating hypertension therewith.

  本披露描述了含有某些取代的咪唑并[1,5-d]-1,2,4-三嗪-1(2H)-酮的物质组成和使用该物质组成治疗高血压的方法。