2,6-dinitro-4-t-butyl-phenyl (4-methyl)-benzenesulfonate | 34237-59-7

• 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: 2,6-dinitro-4-t-butyl-phenyl (4-methyl)-benzenesulfonate
• 英文别名: (4-tert-butyl-2,6-dinitrophenyl) 4-methylbenzenesulfonate
• CAS: 34237-59-7
• 化学式: C₁₇H₁₈N₂O₇S
• 分子量: 394.405
• InChiKey: VDYQFSIQUQSOQE-UHFFFAOYSA-N

物化性质

• 沸点：
  512.6±50.0 °C(Predicted)
• 密度：
  1.361±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  143
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,6-dinitro-4-t-butyl-phenyl (4-methyl)-benzenesulfonate 在 吡啶 、 sodium acetate 、 N,N-二异丙基乙胺 、 tin(ll) chloride 、 三氯氧磷 作用下， 以 乙醇 、 二氯甲烷 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.58h， 生成
  参考文献：
  名称：

  Arylamide Derivatives as Peptidomimetic Inhibitors of Calmodulin

  摘要：

  Many peptides bind to calmodulin (CaM) in a helical conformation. Here we describe a group of synthetic inhibitors of CaM based on an arylamide scaffold that is intended to mimic smMLCK, a CaM-binding helical peptide. Compound 1 showed a K-i value of 7.10 +/- 1.48 nM in a fluorescence polarization assay that monitors the strong association of CaM and its peptide ligand mastoparan X. (H-1,N-15)-HSQC NMR spectroscopy experiments suggested that 1 binds to CaM in an analogous fashion to that of smMLCK.

  DOI：

  10.1021/ol052478j
• 作为产物：
  描述：

  4-叔丁基-2,6-二硝基苯酚 、 对甲苯磺酰氯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以100%的产率得到2,6-dinitro-4-t-butyl-phenyl (4-methyl)-benzenesulfonate
  参考文献：
  名称：

  Facially amphiphilic polymers and oligomers and uses thereof

  摘要：

  本发明公开了利用具有两性表面活性的聚合物和寡聚物的方法，包括将这些聚合物和寡聚物用作抗微生物药物和用于肝素治疗相关的出血并发症的解毒剂的药用。本发明还公开了新颖的具有两性表面活性的聚合物和寡聚物及其组合物，包括药用组合物。本发明进一步公开了具有两性表面活性的聚合物和寡聚物的设计和合成。

  公开号：

  US09241917B2

文献信息

• Facially amphiphilic polymers and oligomers and uses thereof
  申请人：DeGrado William F.

  公开号：US09241917B2

  公开（公告）日：2016-01-26

  The present invention discloses methods of use of facially amphiphilic polymers and oligomers, including pharmaceutical uses of the polymers and oligomers as antimicrobial agents and antidotes for hemorrhagic complications associated with heparin therapy. The present invention also discloses novel facially amphiphilic polymers and oligomers and their compositions, including pharmaceutical compositions. The present invention further discloses the design and synthesis of facially amphiphilic polymers and oligomers.

  本发明公开了利用具有两性表面活性的聚合物和寡聚物的方法，包括将这些聚合物和寡聚物用作抗微生物药物和用于肝素治疗相关的出血并发症的解毒剂的药用。本发明还公开了新颖的具有两性表面活性的聚合物和寡聚物及其组合物，包括药用组合物。本发明进一步公开了具有两性表面活性的聚合物和寡聚物的设计和合成。
• Facially amphiphilic polymers as anti-infective agents
  申请人：——

  公开号：US20040185257A1

  公开（公告）日：2004-09-23

  Facially amphiphilic polymers and articles made therefrom having biocidal surfaces are disclosed. The polymers can inhibit the growth of microorganisms in contact with the surface or in areas adjacent to said biocidal surface. There is also disclosed a method to identify and optimize the facial amphiphilicity of polyamide, polyester, polyurea, polyurethane, polycarbonate and polyphenylene polymers. Utility as a contact disinfectant is disclosed.

  本发明揭示了具有生物杀菌表面的面部亲水亲油性高分子及其制品。这些高分子可以抑制与表面接触或接近该生物杀菌表面的微生物的生长。还揭示了一种识别和优化聚酰胺、聚酯、聚脲、聚氨酯、聚碳酸酯和聚苯基多聚物的面部亲水亲油性的方法。本发明还揭示了其作为接触消毒剂的实用性。
• Facially Amphiphilic Polymers and Oligomers and Uses Thereof
  申请人：DeGrado William F.

  公开号：US20130023561A1

  公开（公告）日：2013-01-24

  The present invention discloses methods of use of facially amphiphilic polymers and oligomers, including pharmaceutical uses of the polymers and oligomers as antimicrobial agents and antidotes for hemorrhagic complications associated with heparin therapy. The present invention also discloses novel facially amphiphilic polymers and oligomers and their compositions, including pharmaceutical compositions. The present invention further discloses the design and synthesis of facially amphiphilic polymers and oligomers.

  本发明揭示了利用面部亲疏水性聚合物和寡聚物的使用方法，包括将这些聚合物和寡聚物作为抗微生物剂和用于治疗肝素治疗相关出血并发症的解毒剂的药物使用。本发明还揭示了新型的面部亲疏水性聚合物和寡聚物及其组合物，包括药物组合物。本发明还揭示了面部亲疏水性聚合物和寡聚物的设计和合成。
• Arylamide derivatives as allosteric inhibitors of the integrin α2β1/type I collagen interaction
  作者：Hang Yin、Lars Ole Gerlach、Meredith W. Miller、David T. Moore、Dahui Liu、Gaston Vilaire、Joel S. Bennett、William F. DeGrado

  DOI：10.1016/j.bmcl.2006.04.037

  日期：2006.7

  We herein report a group of allosteric inhibitors of integrin alpha(2)beta(1) based on an arylamide scaffold. Compound 4 showed an IC50 of 4.80 mu M in disrupting integrin I-domain/collagen binding in an ELISA. These arylamide compounds are able to block collagen binding to integrin alpha(2)beta(1) on the platelet surface. Further we find that compound 4 recognizes a hydrophobic cleft on the side of the alpha(2) I-domain, suggesting an alternative targeting site for drug development. (c) 2006 Elsevier Ltd. All rights reserved.
• US8236800B2
  申请人：——

  公开号：US8236800B2

  公开（公告）日：2012-08-07