1-benzylsulfonyl-2,4-dinitrobenzene | 969-18-6

• 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: 1-benzylsulfonyl-2,4-dinitrobenzene
• 英文别名: NSC 122657；benzyl-(2,4-dinitro-phenyl)-sulfone；Benzyl-(2,4-dinitro-phenyl)-sulfon；α-(2.4-Dinitro-phenylsulfon)-toluol；2.4-Dinitro-1-benzylsulfon-benzol；(2,4-Dinitro-phenyl)-benzyl-sulfon；1-Benzylsulfonyl-2,4-dinitro-benzene
• CAS: 969-18-6
• 化学式: C₁₃H₁₀N₂O₆S
• 分子量: 322.298
• InChiKey: HZFBXPDDUCZHGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  134
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  双(2,4-二硝基苯)二硫化碳 在 chromium(VI) oxide 、 氢氧化钾 、 溶剂黄146 作用下， 生成 1-benzylsulfonyl-2,4-dinitrobenzene
  参考文献：
  名称：

  Fromm; Benzinger; Schaefer, Justus Liebigs Annalen der Chemie, 1912, vol. 394, p. 331

  摘要：

  DOI：

文献信息

• Bost; Turner; Norton, Journal of the American Chemical Society, 1932, vol. 54, p. 1986
  作者：Bost、Turner、Norton

  DOI：——

  日期：——
• Leandri, Annali di Chimica, 1954, vol. 44, p. 875,878
  作者：Leandri

  DOI：——

  日期：——
• ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE
  申请人：The U.S.A. as represented by the Secretary, Department of Health and Human Services

  公开号：EP2461806A2

  公开（公告）日：2012-06-13
• GAIN-OF-FUNCTION BCL-2 INHIBITORS
  申请人：HOCKENBERY David

  公开号：US20120252839A1

  公开（公告）日：2012-10-04

  Compounds are described that are useful for treating an apoptosis-associated disease, which are specifically cytotoxic to tumor cells that are overexpressing Bcl-x L , and are much less cytotoxic in isogenic cells that are not overexpressing Bcl-x L . Also described is a method for treating an apoptosis-associated disease in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of an active compound that is specifically cytotoxic to tumor cells that are overexpressing Bcl-x L , and are much less cytotoxic in isogenic cells that are not overexpressing Bcl-x L . Several scaffolds of active compounds are described.
• COMPOUNDS AND THERAPEUTIC USES
  申请人：Unity Biotechnology, Inc.

  公开号：US20170281649A1

  公开（公告）日：2017-10-05

  Disclosed herein are compounds that are effective for treatment of various disease states associated with senescence. The disclosed compounds can be used to eliminate senescent cells for disease treatment. The dosing of the compounds includes both single administration and regimens of cycling dosages.