S-(4-formyl-3-methoxyphenyl) dimethylcarbamothioate | 1356543-45-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: S-(4-formyl-3-methoxyphenyl) dimethylcarbamothioate
• 英文别名: 1-[(4-formyl-3-methoxyphenyl)sulfanyl]-N,N-dimethylformamide；S-(4-formyl-3-methoxyphenyl) N,N-dimethylcarbamothioate
• CAS: 1356543-45-7
• 化学式: C₁₁H₁₃NO₃S
• 分子量: 239.295
• InChiKey: DVBIITATYOOHLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  71.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  S-(4-formyl-3-methoxyphenyl) dimethylcarbamothioate 在 哌啶 、 盐酸 、 水 、 三溴化硼 、 potassium hydroxide 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 反应 34.17h， 生成 3-(benzo[d]thiazol-2-yl)-7-mercapto-2H-chromen-2-one
  参考文献：
  名称：

  Fluorescent Coumarin Thiols Measure Biological Redox Couples

  摘要：

  In this report we present a new chemical probe, 3-HTC, that can reversibly and ratiometrically measure the thiol-disulfide equilibrium of biological systems. 3-HTC is composed of a coumarin that has a thiolate directly conjugated to its extended aromatic pi system while formation of a disulfide attenuates this conjugation. The fluorescence and absorption properties of 3-HTC are therefore very sensitive to the redox state of its thiol. 3-HTC reacts reversibly with thiols and disulfides enabling its use to measure dynamic GSH/GSSH ratios in vitro as well as to monitor the reversible redox status of whole cell lysates.

  DOI：

  10.1021/ol203105c
• 作为产物：
  描述：

  4-羟基-2-甲氧基苯甲醛 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 185.0h， 生成 S-(4-formyl-3-methoxyphenyl) dimethylcarbamothioate
  参考文献：
  名称：

  [EN] HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES
  [FR] COMPOSÉS HYDROPHOBES POUR DISPOSITIFS OPTIQUEMENT ACTIFS

  摘要：

  本发明涉及新化合物（I），特别涉及包含光活性单元的化合物，这些新化合物特别适用于组合物和眼科器械，以及包含这些化合物的组合物和眼科器械。

  公开号：

  WO2018149852A1

文献信息

• [EN] HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES<br/>[FR] COMPOSÉS HYDROPHOBES POUR DISPOSITIFS OPTIQUEMENT ACTIFS
  申请人：MERCK PATENT GMBH

  公开号：WO2018149852A1

  公开（公告）日：2018-08-23

  The present invention relates to novel compounds (I) particularly to compounds comprising a photoactive unit, said novel compounds being particularly suitable for compositions and ophthalmic devices as well as to compositions and ophthalmic devices comprising such compounds.

  本发明涉及新化合物（I），特别涉及包含光活性单元的化合物，这些新化合物特别适用于组合物和眼科器械，以及包含这些化合物的组合物和眼科器械。
• HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES
  申请人：Merck Patent GmbH

  公开号：EP3363787A1

  公开（公告）日：2018-08-22

  The present invention relates to novel compounds (I), particularly to compounds comprising a photoactive unit, said novel compounds being particularly suitable for compositions and ophthalmic devices as well as to compositions and ophthalmic devices comprising such compounds.

  本发明涉及新型化合物 (I)，特别是包含光活性单元的化合物，所述新型化合物特别适用于组合物和眼科设备，以及包含此类化合物的组合物和眼科设备。
• Hydrophobic compounds for optically active devices
  申请人：Merck Patent GmbH

  公开号：US11014901B2

  公开（公告）日：2021-05-25

  The present invention relates to novel compounds, particularly to compounds comprising a photoactive unit, said novel compounds being particularly suitable for compositions and ophthalmic devices as well as to compositions and ophthalmic devices comprising such compounds.

  本发明涉及新型化合物，特别是包含光活性单元的化合物，所述新型化合物特别适用于组合物和眼科设备，以及包含此类化合物的组合物和眼科设备。
• Fluorescent Coumarin Thiols Measure Biological Redox Couples
  作者：Khalilah G. Reddie、William H. Humphries、Charlo P. Bain、Christine K. Payne、Melissa L. Kemp、Niren Murthy

  DOI：10.1021/ol203105c

  日期：2012.2.3

  In this report we present a new chemical probe, 3-HTC, that can reversibly and ratiometrically measure the thiol-disulfide equilibrium of biological systems. 3-HTC is composed of a coumarin that has a thiolate directly conjugated to its extended aromatic pi system while formation of a disulfide attenuates this conjugation. The fluorescence and absorption properties of 3-HTC are therefore very sensitive to the redox state of its thiol. 3-HTC reacts reversibly with thiols and disulfides enabling its use to measure dynamic GSH/GSSH ratios in vitro as well as to monitor the reversible redox status of whole cell lysates.