2,5,5-trimethyl-[1,3]dioxolan-4-one | 4661-66-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧戊环
• 英文名称: 2,5,5-trimethyl-[1,3]dioxolan-4-one
• 英文别名: 2,5,5-Trimethyl-[1,3]dioxolan-4-on；2,5,5-Trimethyl-1,3-dioxolan-4-on；Trimethyl-2,2,5-dioxolanon-4；2,5,5-Trimethyl-1,3-dioxolan-4-one
• CAS: 4661-66-9
• 化学式: C₆H₁₀O₃
• 分子量: 130.144
• InChiKey: RYISKBIKIAEADC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-甲基-2-羟基丙酸 在 甲醇 、 三氟化硼 、 mercury(II) oxide 作用下， 生成 2,5,5-trimethyl-[1,3]dioxolan-4-one
  参考文献：
  名称：

  Nieuwland; Vogt; Foohey, Journal of the American Chemical Society, 1930, vol. 52, p. 1022

  摘要：

  DOI：

文献信息

• [EN] PROTECTED CARBOXYLIC ACID-BASED METABOLITES FOR THE TREATMENT OF MITOCHONDRIA-RELATED DISEASES<br/>[FR] MÉTABOLITES PROTÉGÉS À BASE D'ACIDE CARBOXYLIQUE POUR LE TRAITEMENT DES MALADIES LIÉES AUX MITOCHONDRIES
  申请人：NEUROVIVE PHARMACEUTICAL AB

  公开号：WO2017060418A1

  公开（公告）日：2017-04-13

  The present invention provides novel cell-permeable carboxylic acid-based metabolites and cell permeable precursors thereof aimed at increasing ATP-production in mitochondria and thus, for use in medicine. The main part of ATP produced and utilized in the eukaryotic cell originates from mitochondrial oxidative phosphorylation, a process to which high-energy electrons are provided by the Kreb's cycle. Not all Kreb's cycle intermediates are readily permeable to the cellular membrane, one of them being malonate. The provision of the novel cell permeable carboxylic acid- based metabolites is envisaged to allow passage over the cellular membrane and thus the cell permeable metabolite can be used to enhance mitochondrial ATP-output.

  本发明提供了一种新型的细胞可透过性的基于羧酸的代谢物及其细胞可透过性前体，旨在增加线粒体中的ATP产生，因此可用于医学。在真核细胞中产生和利用的ATP的主要部分来源于线粒体氧化磷酸化，这是一个由Kreb循环提供高能电子的过程。并非所有的Kreb循环中间体都能容易地透过细胞膜，其中之一就是丙二酸。提供这些新型的细胞可透过性的基于羧酸的代谢物预计将允许通过细胞膜，因此细胞可透过性的代谢物可用于增强线粒体的ATP产量。
• Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation
  申请人：——

  公开号：US20030087873A1

  公开（公告）日：2003-05-08

  The disclosed invention is a composition for and a method of treating a Flaviviridae (including BVDV and HCV), Orthomyxoviridae (including Influenza A and B) or Paramyxoviridae (including RSV) infection, or conditions related to abnormal cellular proliferation, in a host, including animals, and especially humans, using a nucleoside of general formula (I)-(XXIII) or its pharmaceutically acceptable salt or prodrug. This invention also provides an effective process to quantify the viral load, and in particular BVDV, HCV or West Nile Virus load, in a host, using real-time polymerase chain reaction (“RT-PCR”). Additionally, the invention discloses probe molecules that can fluoresce proportionally to the amount of virus present in a sample.

  该公开的发明涉及一种用于治疗Flaviviridae（包括BVDV和HCV）、Orthomyxoviridae（包括甲型和乙型流感）或Paramyxoviridae（包括RSV）感染或与异常细胞增殖有关的病况的组合物和方法，适用于宿主，包括动物，尤其是人类，使用通用式（I）-（XXIII）的核苷或其药学上可接受的盐或前药。该发明还提供了一种有效的过程，用于量化病毒载量，特别是BVDV、HCV或西尼罗河病毒载量，使用实时聚合酶链反应（RT-PCR）。此外，该发明揭示了可以与样本中存在的病毒数量成比例发光的探针分子。
• Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation
  申请人：Stuyver Lieven

  公开号：US20110269707A1

  公开（公告）日：2011-11-03

  The disclosed invention is a composition for and a method of treating a Flaviviridae (including BVDV and HCV), Orthomyxoviridae (including Influenza A and B) or Paramyxoviridae (including RSV) infection, or conditions related to abnormal cellular proliferation, in a host, including animals, and especially humans, using a nucleoside of general formula (I)-(XXIII) or its pharmaceutically acceptable salt or prodrug. This invention also provides an effective process to quantify the viral load, and in particular BVDV, HCV or West Nile Virus load, in a host, using real-time polymerase chain reaction (“RT-PCR”). Additionally, the invention discloses probe molecules that can fluoresce proportionally to the amount of virus present in a sample.

  本公开发明涉及一种用于治疗Flaviviridae（包括BVDV和HCV）、Orthomyxoviridae（包括甲型和乙型流感）或Paramyxoviridae（包括RSV）感染或与异常细胞增殖相关的条件的组合物和方法，适用于宿主，包括动物，特别是人类，使用通式（I）-（XXIII）的核苷或其药学上可接受的盐或前药。本发明还提供了一种有效的过程，用于定量病毒载量，特别是BVDV、HCV或西尼罗河病毒载量，在宿主中使用实时聚合酶链反应（“RT-PCR”）。此外，本发明还揭示了探针分子，可以与样品中存在的病毒数量成比例地发出荧光。
• MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION
  申请人：GILEAD SCIENCES, INC.

  公开号：US20140057863A1

  公开（公告）日：2014-02-27

  The disclosed invention is a composition for and a method of treating a Flaviviridae (including BVDV and HCV), Orthomyxoviridae (including Influenza A and B) or Paramyxoviridae (including RSV) infection, or conditions related to abnormal cellular proliferation, in a host, including animals, and especially humans, using a nucleoside of general formula (I)-(XXIII) or its pharmaceutically acceptable salt or prodrug. This invention also provides an effective process to quantify the viral load, and in particular BVDV, HCV or West Nile Virus load, in a host, using real-time polymerase chain reaction (“RT-PCR”). Additionally, the invention discloses probe molecules that can fluoresce proportionally to the amount of virus present in a sample.

  本公开发明涉及一种用于治疗Flaviviridae（包括BVDV和HCV）、Orthomyxoviridae（包括甲型和乙型流感病毒）或Paramyxoviridae（包括RSV）感染或与异常细胞增殖相关的条件的组合物和方法，适用于宿主，包括动物，特别是人类，使用一种核苷酸的一般式（I）-（XXIII）或其药学上可接受的盐或前药。本发明还提供了一种有效的过程，用于定量病毒载量，特别是BVDV、HCV或West Nile病毒载量，在宿主中使用实时聚合酶链反应（“RT-PCR”）。此外，本发明还揭示了可以与样品中存在的病毒数量成比例发光的探针分子。
• PROTECTED SUCCINATES FOR ENHANCING MITOCHONDRIAL ATP-PRODUCTION
  申请人：MITOPHARM LTD

  公开号：US20150259317A1

  公开（公告）日：2015-09-17

  Disclosed herein are mono or di-succinate compounds where one or both of the acid groups in the succinate core are protected in the form of biologically labile moieties, and the use of said compounds to enhance mitochondrial function. The compounds may be of formula (I) wherein R 1 is H or an optionally substituted alkyl group or a group of formula (II) and R 2 is independently a group according to formula (II) where formula (II) is as defined 10 herein.

  本文揭示了一种单或二琥珀酸酯化合物，其中琥珀酸核中的一个或两个酸基以生物活性的基团形式得到保护，并且使用该化合物来增强线粒体功能。该化合物可以是式（I）的形式，其中R1为H或可选择取代的烷基或式（II）的基团，R2独立地是式（II）定义的基团，其中式（II）如本文所定义。

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