2-(2,4-二硝基苯基)硫烷基乙酸 | 32403-69-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(2,4-二硝基苯基)硫烷基乙酸
• 中文别名: ((2,4-双(羟基(氧代)氨基)苯基)硫代)乙酸
• 英文名称: 2-(2,4-dinitrophenylthio)acetic acid
• 英文别名: (2,4-dinitro-phenylsulfanyl)-acetic acid；(2,4-Dinitro-phenylmercapto)-essigsaeure；Carboxymethyl-(2.4-dinitro-phenyl)-sulfid；S-(2.4-Dinitro-phenyl)-thioglykolsaeure；(2.4-Dinitro-phenylthio)-essigsaeure；2-(2,4-dinitrophenylthio)-acetic acid；[(2,4-Dinitrophenyl)thio]acetic acid；2-(2,4-dinitrophenyl)sulfanylacetic acid
• CAS: 32403-69-3
• 化学式: C₈H₆N₂O₆S
• mdl: MFCD00442031
• 分子量: 258.211
• InChiKey: RDEPTRFZTKVALC-UHFFFAOYSA-N

物化性质

• 沸点：
  462.3±45.0 °C(Predicted)
• 密度：
  1.66±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  154
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(2,4-二硝基苯基)硫烷基乙酸 以 水 为溶剂， 生成 methyl 2,4-dinitriophenyl sulfide
  参考文献：
  名称：

  含邻硝基芳硫基取代基的化合物的光解

  摘要：

  已经研究了许多含有邻-硝基芳基硫代取代基的化合物的光解作用。某些羧酸衍生物中会发生脱羧作用，并考虑了这些反应的机理。与其热分解相反，N-（邻-硝基苯硫基）苯胺的光解以适中的产率提供了4'-苯胺基偶氮苯-2-磺酸。

  DOI：

  10.1039/j39710003081
• 作为产物：
  描述：

  双(2,4-二硝基苯)二硫化碳 在 sodium sulfide 、 sodium hydroxide 、 乙醇 作用下， 生成 2-(2,4-二硝基苯基)硫烷基乙酸
  参考文献：
  名称：

  Claasz, Chemische Berichte, 1912, vol. 45, p. 751

  摘要：

  DOI：

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• Thermolysis of o-nitro- and 2,4-dinitro-phenoxyacetic acids and related compounds
  作者：R. S. Goudie、P. N. Preston

  DOI：10.1039/j39710001718

  日期：——

  The products of thermolysis of o-nitro- and 2,4-dinitro-phenoxyacetic acids and their sulphur analogues have been investigated. Predominant products from the former include 2H-1,4-benzoxazin-3(4H)-one and derivatives thereof, benzoxazoles, and related compounds. In general, decomposition of the sulphur analogues follows related pathways. The mechanisms of formation of some of the products are considered

  已经研究了邻-硝基-和2,4-二硝基-苯氧基乙酸及其硫类似物的热解产物。前者的主要产物包括2 H -1,4-苯并恶嗪-3（4 H）-one及其衍生物，苯并恶唑和相关化合物。通常，硫类似物的分解遵循相关途径。考虑了某些产物的形成机理。
• MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS
  申请人：Sheth Urvi

  公开号：US20120309758A1

  公开（公告）日：2012-12-06

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及调节ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节蛋白，以及相关的组合物和方法。本发明还涉及使用这些调节剂治疗ABC转运蛋白介导的疾病的方法。
• Controlled coupling of aminoglycoside antibiotics to proteins for use in homogeneous enzyme immunoassays
  作者：Prithipal Singh、Marcel Pirio、Danton K. Leung、Yuh-Geng Tsay

  DOI：10.1139/v84-425

  日期：1984.11.1

  Selective N-acylation of aminoglycoside antibiotics with the N-hydroxysuccinimide ester of methyldithioacetic acid, followed by reaction with methanethiol or dithioerythritol, gives sulfhydryl labeled antibiotics. Alternatively, the nucleophilic sulfhydryl group is incorporated into an antibiotic by treatment with N-acetyl-d,l-homocysteine thiolactone. These derivatives couple readily with proteins that have previously been modified with bromoacetylglycyl groups to provide conjugates for use in the development of homogeneous enzyme immunoassays.

  氨基糖苷抗生素的选择性N-酰化，使用甲基二硫乙酸的N-羟基琥珀酰亚胺酯，随后与甲硫醇或二硫巴比妥醇反应，可制备含硫巯基标记的抗生素。或者，通过与N-乙酰-d,l-同型半胱氨酸硫内酯处理，将亲核硫巯基基团引入抗生素中。这些衍生物可与之前用溴乙酰甘氨酰基修饰过的蛋白质轻松偶联，用于开发均相酶免疫分析的共轭物。