2-nitrothiobenzoic acid | 79253-87-5

• 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-nitrothiobenzoic acid
• 英文别名: Nitro-thiobenzoesaure；2-nitrobenzenecarbothioic S-acid
• CAS: 79253-87-5
• 化学式: C₇H₅NO₃S
• 分子量: 183.188
• InChiKey: RCHAKLCYTZRINN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-nitrothiobenzoic acid 在 caesium carbonate 作用下， 以 间二甲苯 、 乙腈 为溶剂， 反应 0.17h， 生成 O-phenyl 2-nitrobenzothioate
  参考文献：
  名称：

  Ynamide-Mediated Thionoester and Dithioester Syntheses

  摘要：

  A novel ynamide-mediated synthesis of thionoesters and dithioesters is described. The selective addition reactions of various monothiocarboxylic acids with ynamide furnish alpha-thioacyloxyenamides, which undergo transesterification with nucleophilic -OH or -SH species to afford thionoesters and dithioesters, respectively. The broad substrate scope, mild reaction conditions, and excellent yields make this method an attractive synthetic approach to thionoesters and dithioesters.

  DOI：

  10.1021/acs.orglett.0c02402

文献信息

• Modification of biopolymers for improved drug delivery
  申请人：Genzyme Corporation

  公开号：US20040209842A1

  公开（公告）日：2004-10-21

  A biologically active conjugate is disclosed comprising a biopolymer and a therapeutic agent joined by a disulfide bond. The conjugate, when formulated in a pharmaceutical composition with a suitable carrier, has improved in vivo stability and activity, and can be targeted to a variety of cells, tissues and organs.

  本发明揭示了一种生物活性结合物，它由一个生物聚合物和一个治疗剂通过二硫键连接而成。当该结合物与适当的载体在制药组合物中配制时，具有改善的体内稳定性和活性，并且可以针对各种细胞、组织和器官。
• POLYMER
  申请人：Garnett Martin

  公开号：US20100028445A1

  公开（公告）日：2010-02-04

  The invention provides compositions comprising a polyamidoamine (PAA) polymer comprising a pendant disulphide, sulphydryl, or activated sulphydryl moiety, and methods for their manufacture. The invention extends to the use of such polyamidoamine polymers to form cross-linked compositions, and hydrogels comprising the same, and the use of such compositions in various biological and non-biological applications, such as the delivery of biomolecules to target sites, and for tracking fluid flows. The invention also provides carrier particles, which may be used to deliver biomolecules, and to methods of treatment. The invention also provides a fluid tracking system for monitoring fluid flow.

  本发明提供了包含聚酰胺胺（PAA）聚合物的组合物，其包含一个悬挂二硫键、巯基或活性巯基基团，并提供了其制造方法。本发明将这种聚酰胺胺聚合物的应用扩展到形成交联组合物和包含它们的水凝胶，以及在各种生物和非生物应用中使用这种组合物，例如将生物分子输送到目标位点，并用于跟踪流体流动。本发明还提供了载体颗粒，可用于输送生物分子和治疗方法。本发明还提供了一种流体跟踪系统，用于监测流体流动。
• Ionic Liquid-Mediated One-Pot 3-Acylimino-3<i>H</i>-1,2-dithiole Synthesis from Thiocarboxylic Acids and Alkynylnitriles via In Situ Generation of Disulfide Intermediates
  作者：Chandresh Kumari、Avijit Goswami

  DOI：10.1021/acs.joc.2c00301

  日期：2022.7.1

  derivatives via a metal-free annulation reaction of alkynylnitriles with thiocarboxylic acids mediated by ionic liquids [BMIM]Br has been reported. This operationally simple protocol offers an easy and rapid access to a library of dithiol derivatives in moderate to good yields. The mechanistic studies show a benzoyldithio anion addition to alkynylnitriles followed by an annulation reaction through the involvement

  已经报道了一种实用且直接的策略，用于通过离子液体 [BMIM]Br 介导的炔基腈与硫代羧酸的无金属环化反应合成 3-acylimino-3 H -1,2-dithiol 衍生物。这种操作简单的协议提供了一种以中等至良好的产量轻松快速地访问二硫醇衍生物库的方法。机理研究表明，苯甲酰二硫代阴离子加成到炔基腈中，然后通过作为关键中间体的二硫化物部分参与环化反应。
• 2-Nitro-5-(substituted-phenoxy) benzoyl derivatives as herbicides
  申请人：RHONE-POULENC INC.

  公开号：EP0034883A1

  公开（公告）日：1981-09-02

  Compoundsofformula that have pre and post emergence activity. The substituent A is such that they include certain substituted phenyl esters, phenyl thioesters, heterocyclic esters; substituted alkyl and alkylthio esters, carbonates and thiocarbonates; benzoyl phosphonates; substituted alkanones and substituted amides.

  取代基 A 包括某些取代的苯基酯、苯基硫代酯、杂环酯；取代的烷基和烷硫基酯、碳酸盐和硫代碳酸盐；苯甲酰膦酸盐；取代的烷酮和取代的酰胺。
• Capped and uncapped antibody cysteines, and their use in antibody-drug conjugation
  申请人：PFIZER INC.

  公开号：US10653794B2

  公开（公告）日：2020-05-19

  An antibody production process in mammalian cells in which engineered unpaired cysteine residues are post-translationally modified and capped with particular chemical entities, which capped antibodies are well suited to further site-specific conjugation steps to form antibody-drug conjugates (ADCs) or protein drug conjugates; ADCs produced using these capped antibodies including in particular ADCs formed by the selective reduction of the capped antibodies' cysteine residues, and ADCs formed using chemical handles such as aldehyde/azide/alkyne biorthogonal groups, which permit additional drug conjugation chemistry; and uncapped antibodies produced by cells in low cysteine, cysteine and glutathione media, and ADCs produced via direct conjugation to these uncapped antibodies.

  一种在哺乳动物细胞中生产抗体的工艺，在这种工艺中，经过设计的未配对半胱氨酸残基被翻译后修饰，并用特定的化学实体封端，这种封端抗体非常适合进一步的特定位点共轭步骤，以形成抗体-药物共轭物（ADC）或蛋白药物共轭物；使用这些封端抗体生产的 ADC，尤其包括通过选择性还原封端抗体的半胱氨酸残基而形成的 ADC，以及使用醛/吖啶/炔双交基等化学处理形成的 ADC，这些化学处理允许进行额外的药物共轭化学反应；以及由细胞在低半胱氨酸、半胱氨酸和谷胱甘肽介质中产生的未封端抗体，以及通过直接与这些未封端抗体共轭而生产的 ADC。