2-(5-(1,2-dithiolan-3-yl)pentanamido)ethyl dihydrogen phosphate | 1085381-76-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫杂环戊烷
• 英文名称: 2-(5-(1,2-dithiolan-3-yl)pentanamido)ethyl dihydrogen phosphate
• 英文别名: 2-[5-(Dithiolan-3-yl)pentanoylamino]ethyl dihydrogen phosphate；2-[5-(dithiolan-3-yl)pentanoylamino]ethyl dihydrogen phosphate
• CAS: 1085381-76-5
• 化学式: C₁₀H₂₀NO₅PS₂
• 分子量: 329.378
• InChiKey: PEBHWCJXHFJKLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  147
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(5-(1,2-dithiolan-3-yl)pentanamido)ethyl dihydrogen phosphate 在 sodium tetrahydroborate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以79%的产率得到2-(6,8-dimercaptooctanamido)ethyl hydrogen phosphate
  参考文献：
  名称：

  Caged Quantum Dots

  摘要：

  Photoactivatable organic fluorophores and fluorescent proteins have been widely adopted for cellular imaging and have been critical for increasing temporal and spatial resolution, as well as for the development of superresolution microscopy techniques. At the same time, semiconducting nanocrystat quantum dots (QDs) have shown superior brightness and photostability compared to both organic fluorophores and proteins. As part of our efforts to develop nanoparticles with novel optical properties, we have synthesized caged quantum dots, which are nonluminescent under typical microscopic illumination but can be activated with stronger pulses of UV light. We show that ortho-nitrobenzyl groups efficiently quench QDs of different compositions and emissions and can be released from the nanoparticle surface with UV light, both in solution and in live cells. This caging is dependent on the emission of the QD, but it is effective through the visible spectrum into the nIR, offering a large array of new colors for photoactivatable probes. Like organic and protein-based photoactivatable probes, caged QDs can confer increased spatial and temporal resolution, with the added brightness and photostability of QDs.

  DOI：

  10.1021/ja804948s
• 作为产物：
  描述：

  乙醇胺磷酸酯 、 Thioctic acid 在 N-羟基丁二酰亚胺 、 碳酸氢钠 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 sodium phosphate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以74%的产率得到2-(5-(1,2-dithiolan-3-yl)pentanamido)ethyl dihydrogen phosphate
  参考文献：
  名称：

  Caged Quantum Dots

  摘要：

  Photoactivatable organic fluorophores and fluorescent proteins have been widely adopted for cellular imaging and have been critical for increasing temporal and spatial resolution, as well as for the development of superresolution microscopy techniques. At the same time, semiconducting nanocrystat quantum dots (QDs) have shown superior brightness and photostability compared to both organic fluorophores and proteins. As part of our efforts to develop nanoparticles with novel optical properties, we have synthesized caged quantum dots, which are nonluminescent under typical microscopic illumination but can be activated with stronger pulses of UV light. We show that ortho-nitrobenzyl groups efficiently quench QDs of different compositions and emissions and can be released from the nanoparticle surface with UV light, both in solution and in live cells. This caging is dependent on the emission of the QD, but it is effective through the visible spectrum into the nIR, offering a large array of new colors for photoactivatable probes. Like organic and protein-based photoactivatable probes, caged QDs can confer increased spatial and temporal resolution, with the added brightness and photostability of QDs.

  DOI：

  10.1021/ja804948s

文献信息

• Formulations Comprising Lipoyl Compounds
  申请人：Ischemix, LLC

  公开号：US20150329519A1

  公开（公告）日：2015-11-19

  Provided herein are aqueous pharmaceutical formulations comprising monomeric lipoyl compounds, such as compounds of Structural Formula I: The formulations comprise a lipoyl compound comprising at least one acidic substituent; and an inorganic base in an amount sufficient to deprotonate each acidic substituent in the lipoyl compound. In certain embodiments, the formulations have a pH of from about 6.5 to about 8.0 and a tonicity of from about 250 mOsm to about 350 mOsm.

  本文提供了含有单体脂硫醇化合物的水性制药配方，例如结构式I中的化合物：这些配方包括至少含有一个酸性取代基的脂硫醇化合物；以及足以去质子化脂硫醇化合物中的每个酸性取代基的无机碱。在某些实施方式中，这些配方的pH值约为6.5至8.0，渗透压约为250 mOsm至350 mOsm。
• [EN] FORMULATIONS COMPRISING LIPOYL COMPOUNDS<br/>[FR] FORMULATIONS COMPRENANT DES COMPOSÉS DE LIPOYLE
  申请人：ISCHEMIX LLC

  公开号：WO2015174948A1

  公开（公告）日：2015-11-19

  Provided herein are aqueous pharmaceutical formulations comprising lipoyl compounds, such as compounds of Structural Formula (I): The formulations comprise a lipoyl compound comprising at least one acidic substituent; and an inorganic base in an amount sufficient to deprotonate each acidic substituent in the lipoyl compound. In certain embodiments, the formulations have a pH of from about 6.5 to about 8.0 and a tonicity of from about 250 mOsm to about 350 mOsm.

  本文提供的是含有脂酰化合物的水性制药配方，例如结构式（I）中的化合物：这些配方包括含有至少一个酸性取代基的脂酰化合物；以及足够量的无机碱，用于去质子化脂酰化合物中的每个酸性取代基。在某些实施例中，这些配方的pH值约为6.5至8.0，渗透压约为250 mOsm至350 mOsm。
• LIPOYL COMPOUNDS AND THEIR USE FOR TREATING ISCHEMIC INJURY
  申请人：Ischemix LLC

  公开号：EP2640423B1

  公开（公告）日：2017-07-26
• Lipoyl Compounds And Their Use for Treating Ischemic Injury
  申请人：Baguisi Alexander B.

  公开号：US20130237483A1

  公开（公告）日：2013-09-12

  The present invention relates, in various embodiments, to a compound represented by Structural Formula (I), pharmaceutically acceptable salts or prodrugs thereof, and compositions comprising said compounds, or pharmaceutically acceptable salts or prodrugs thereof. Methods of using compounds of Structural Formulas (I) and (la) or compositions comprising compounds of Structural Formulas (I) and (la), or pharmaceutically acceptable salts or prodrugs thereof, to treat ischemia or ischemia-reperfusion injury are also disclosed.
• LIPOYL COMPOUNDS AND METHODS FOR TREATING ISCHEMIC INJURY
  申请人：Ischemix LLC

  公开号：US20150065564A1

  公开（公告）日：2015-03-05

  The present invention relates, in various embodiments, to a compound represented by Structural Formula (I), pharmaceutically acceptable salts or prodrugs thereof, and compositions comprising said compounds, or pharmaceutically acceptable salts or prodrugs thereof. Methods of using compounds of Structural Formulas (I) and (Ia) or compositions comprising compounds of Structural Formulas (I) and (Ia), or pharmaceutically acceptable salts or prodrugs thereof, to treat ischemia or ischemia-reperfusion injury are also disclosed.