2,4,6-trinitrobenzeno-1-sulfonate | 16655-63-3

• 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: 2,4,6-trinitrobenzeno-1-sulfonate
• 英文别名: 2,4,6-Trinitrobenzolsulfonat-Ion；2,4,6-Trinitrobenzene Sulfonate；2,4,6-trinitrobenzenesulfonate
• CAS: 16655-63-3
• 化学式: C₆H₂N₃O₉S
• 分子量: 292.163
• InChiKey: NHJVRSWLHSJWIN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  203
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2,4,6-trinitrobenzeno-1-sulfonate 在 N-苄基-1,4-二氢吡啶-3-甲酰胺 作用下， 生成 1,3,5-三硝基苯
  参考文献：
  名称：

  NADH模型化合物对1,8-萘二磺酸还原脱硫的立体加速

  摘要：

  1,8-萘二磺酸盐被N-苄基-1,4-二氢烟碱酰胺还原脱磺，而未观察到1,6-异构体的脱磺化。1,8-异构体的高反应性归因于空间应变，该空间应变迫使sp 2-碳的初始状态转变为接近sp 3-碳的过渡态。

  DOI：

  10.1016/s0040-4039(01)81863-3
• 作为产物：
  描述：

  phenyl-picryl sulfide 在 sodium sulfate 、 sodium sulfite 作用下， 以 水 、 二甲基亚砜 为溶剂， 生成 2,4,6-trinitrobenzeno-1-sulfonate 、 、
  参考文献：
  名称：

  Kinetic and equilibrium studies of ?-adduct formation and substitution in the reactions of sulphite ions with some alkyl and aryl ethers and thioethers

  摘要：

  Kinetic and equilibrium results are reported for the reactions of sulphite with the ethyl and phenyl ethers of 2,4,6-trinitrophenol and 2,4,6-trinitrotbiophenol in 80/20 (v/v) water/DMSO. In each case 1:1 and 1:2 adducts are observed by reaction of sulphite at one or two unsubstituted ring positions respectively. In the case of the ethyl derivatives these adducts are long-lived; however, the phenyl derivatives rapidly yield 2,4,6-trinitrobenzene-sulphonate, the substitution product. This difference is attributed to a change in the nature of the rate-determining step, from nucleophilic attack with the phenyl derivatives to leaving group departure with the alkyl derivatives. (C) 1998 John Wiley & Sons, Ltd.

  DOI：

  10.1002/(sici)1099-1395(1998110)11:11<787::aid-poc38>3.0.co;2-0

文献信息

• Coenzyme models. Part 35. Charge separation on the micelle surface as a strategy to prove the multi-step reaction mechanism in NADH model reductions
  作者：Seiji Shinkai、Takaharu Tsuno、Yukiko Asatani、Osamu Manabe

  DOI：10.1039/p29830001533

  日期：——

  We have found that (i) the reaction of NADH model compounds with potassium persulphate (PPS) in anionic and non-ionic micelles initiates radical polymerisation of acrylamide and (ii) that reductive desulphonation of 2,4,6-trinitrobenzenesulphonate and 4-carboxy-2,6-dinitrobenzenesulphonate by NADH model compounds in deuterium oxide in the presence of the micelles gives 1,3,5-trinitrobenzene and 3,5-dinitrobenzoic

  我们发现（i）NADH模型化合物与过硫酸钾（PPS）在阴离子和非离子胶束中的反应引发丙烯酰胺的自由基聚合，以及（ii）2,4,6-三硝基苯磺酸盐和4-羧基的还原性脱磺酸作用在胶束存在下，NADH模型化合物在氘化氢中的-2,6-二硝基苯磺酸盐分别得到1,3,5-三硝基苯和3,5-二硝基苯甲酸，它们含有3-16％的氘。结果表明，反应通过自由基离子对中间体的多步氢转移而进行，并且胶束能够离解自由基离子对。
• Chloroquine combination drugs and methods for their synthesis
  申请人：Kosak M. Kenneth

  公开号：US20070060499A1

  公开（公告）日：2007-03-15

  This invention discloses compositions of chloroquine-coupled active agents, including methods for their preparation. The prior art has shown that chloroquines given as free drug in high enough concentration, enhances the release of various agents from cellular endosomes into the cytoplasm. The purpose of these compositions is to provide a controlled amount of chloroquine at the same site where the active agent is delivered, thereby reducing the overall dosage needed. The compositions comprise a chloroquine substance coupled to an active agent directly or through a variety of pharmaceutical carrier substances. The carrier substances include polysaccharides, synthetic polymers, proteins, micelles and other substances for carrying and releasing the chloroquine compositions in the body for therapeutic effect. The compositions can also include a biocleavable linkage for carrying and releasing active agents for therapeutic or other medical uses. The invention also discloses carrier compositions that are coupled to targeting molecules for targeting the delivery of chloroquine substances and active agents to their site of action.

  这项发明揭示了氯喹偶联活性药剂的组合物，包括其制备方法。先前的技术已经表明，以足够高浓度给予氯喹作为游离药物，可以增强细胞内体内各种药剂从细胞内体释放到细胞质中。这些组合物的目的是在传递活性药剂的相同部位提供受控量的氯喹，从而减少所需的总剂量。这些组合物包括将氯喹物质直接或通过各种药用载体物质偶联到活性药剂。载体物质包括多糖、合成聚合物、蛋白质、胶束和其他用于在体内携带和释放氯喹组合物以产生治疗效果的物质。这些组合物还可以包括用于携带和释放活性药剂以用于治疗或其他医疗用途的生物可降解连接。该发明还揭示了与靶向分子偶联的载体组合物，用于将氯喹物质和活性药剂定位传递到它们的作用部位。
• Poly (L-glutamic acid) paramagnetic material complex and use as a biodegradable MRI contrast agent
  申请人：Li Chun

  公开号：US20050152842A1

  公开（公告）日：2005-07-14

  The present invention includes PG polymer complexes with paramagnetic materials, such as Gd, Mn and iron oxide. The complexes may also include chelating agents which may be covalently attached to the PG polymer backbone through linkers. PEG may also be attached to the PG polymer backbone. The complexes may include targeting molecules. The complexes are useful as MRI contrast agents, particularly as blood pool agents.

  本发明涉及带有顺磁性材料（如Gd，Mn和氧化铁）的PG聚合物复合物。这些复合物还可以包括通过连接剂共价附着到PG聚合物骨架上的螯合剂。PEG也可以附着在PG聚合物骨架上。这些复合物可以包括定向分子。这些复合物作为MRI对比剂特别适用于血池对比剂。
• Chloroquine coupled nucleic acids and methods for their synthesis
  申请人：Kosak M. Kenneth

  公开号：US20060040879A1

  公开（公告）日：2006-02-23

  This invention discloses compositions and methods for preparing chloroquine-coupled nucleic acid compositions. The prior art has shown that chloroquines given as free drug in high enough concentration, enhances the release of various agents from cellular endosomes into the cytoplasm. The purpose of these compositions is to provide a controlled amount of chloroquine at the same site where the nucleic acid needs to be released, thereby reducing the overall dosage needed. The compositions comprise a chloroquine substance coupled to a nucleic acid directly or through a variety of pharmaceutical carrier substances. The carrier substances include polysaccharides, synthetic polymers, proteins, micelles and other substances for carrying and releasing the chloroquine compositions in the body for therapeutic effect. The compositions can also include a biocleavable linkage for carrying and releasing nucleic acids for therapeutic or other medical uses. The invention also discloses nucleic acid carrier compositions that are coupled to targeting molecules for targeting the delivery of nucleic acids to their site of action.

  本发明披露了制备氯喹偶联核酸组合物的组成和方法。先前的研究表明，以足够高的浓度给予氯喹作为自由药物，可以增强细胞内体内各种物质从内体泡中释放到细胞质中。这些组合物的目的是在核酸需要释放的同一位置提供受控量的氯喹，从而降低所需的总剂量。该组合物包括直接或通过各种药物载体物质偶联的氯喹物质和核酸。载体物质包括多糖、合成聚合物、蛋白质、胶束和其他用于在体内携带和释放氯喹组合物以达到治疗效果的物质。该组合物还可以包括生物可降解连接来携带和释放用于治疗或其他医疗用途的核酸。本发明还披露了偶联到靶向分子的核酸载体组合物，用于将核酸传递到其作用位置。
• Heat-curable compositions comprising an epoxy resin, an amine and a sulphonium salt
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0170333A2

  公开（公告）日：1986-02-05

  Heat-curable compositions exhibiting improved thermal pot life are obtained from epoxy compositions comprising (1) a polyepoxide, (2) an aromatic or aliphatic amine and (3) a catalytic amount of a trihydrocarbyl sulphonium salt.

  由环氧树脂组合物制成的热固化组合物具有更长的热罐寿命，该组合物包含 (1) 聚环氧化物、(2) 芳族或脂族胺和 (3) 催化量的三氢羰基硫鎓盐。