N-p-chlorobenzenesulfonyl-2,3,6-trichloro-1,4-benzoquinone imine | 141481-34-7

• 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: N-p-chlorobenzenesulfonyl-2,3,6-trichloro-1,4-benzoquinone imine
• 英文别名: 4-chloro-N-(2,3,5-trichloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
• CAS: 141481-34-7
• 化学式: C₁₂H₅Cl₄NO₃S
• 分子量: 385.055
• InChiKey: JIXMIXHCFSEFHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙烷,三氯氟- 、 N-p-chlorobenzenesulfonyl-2,3,6-trichloro-1,4-benzoquinone imine 以 乙酸乙酯 为溶剂， 反应 5.0h， 以75%的产率得到4-Chloro-N-[2-chloro-4-oxo-3,5-bis-p-tolylamino-cyclohexa-2,5-dien-(E)-ylidene]-benzenesulfonamide
  参考文献：
  名称：

  Avdeenko, A. P.; Cherednichenko, P. G.; Menafova, Yu. V., Russian Journal of Organic Chemistry, 1994, vol. 30, # 7.2, p. 1105 - 1108

  摘要：

  DOI：
• 作为产物：
  描述：

  4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide 在 氯 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-p-chlorobenzenesulfonyl-2,3,6-trichloro-1,4-benzoquinone imine
  参考文献：
  名称：

  Avdeenko, A. P.; Zhukova, S. A., Russian Journal of Organic Chemistry, 1999, vol. 35, # 3, p. 388 - 396

  摘要：

  DOI：

文献信息

• ——
  作者：A. P. Avdeenko、I. L. Marchenko、S. A. Konovalova

  DOI：10.1023/a:1016555324390

  日期：——

  The study of chlorination of N-(N-arylsulfonylarylimidoyl)-1,4-benzoquinone imines and of N-(N-arylsulfonylarylimidoyl)-1,4-aminophenols revealed that the dominant stage in the process was the formation of cyclohexene structures, 4-(N-arylsulfonylarylimidoyl)imino-2,5,6-trichloro-2-cyclohexene-1-ones, resulting from addition of a Cl-2 molecule across the C=C bond of the quinoid ring. These substances suffer a prototropic rearrangements yielding N-(N-arylsulfonylarylimidoyl)-2,3,6-trichloro-4-aminophenols. The latter are the most common reaction products. The products of deeper chlorination were also obtained.
• NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE
  申请人：Smith W. Jeffrey

  公开号：US20070203236A1

  公开（公告）日：2007-08-30

  The present invention provides for compounds of formula (I)-(XIII), as well as pharmaceutically acceptable salts thereof, metabolites thereof, pro-drugs thereof, and pharmaceutical kits that include such compounds. The present invention also provides for the compounds of formula (I)-(XIII) for use in medical therapy or diagnosis. The present invention also provides for the use of the compounds of formula (I)-(XIII) in treating cancer in mammals (e.g., humans), as well inhibiting tumor cell growth in such mammals. The present invention also provides for methods of inhibiting FAS. The methods include contacting FAS with an effective amount of a compound of formula (I)-(XIII). The present invention also provides for methods of inhibiting the TE domain of the FAS. The methods include contacting the thioesterase TE domain of the FAS with an effective amount of a compound of formula (I)-(XIII). The present invention also provides for methods of treating cancer in mammals, as well as methods of inhibiting tumor cell growth in such mammals. The methods include administering a compound of formula (I)-(XIII) to a mammal in need of such treatment.
• Avdeenko, A. P.; Zhukova, S. A., Russian Journal of Organic Chemistry, 1999, vol. 35, # 3, p. 388 - 396
  作者：Avdeenko, A. P.、Zhukova, S. A.

  DOI：——

  日期：——
• Avdeenko, A. P.; Cherednichenko, P. G.; Menafova, Yu. V., Russian Journal of Organic Chemistry, 1994, vol. 30, # 7.2, p. 1105 - 1108
  作者：Avdeenko, A. P.、Cherednichenko, P. G.、Menafova, Yu. V.

  DOI：——

  日期：——