4-[5-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-[5-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
• 化学式: C₁₆H₁₀N₂O₅S
• 分子量: 342.3
• InChiKey: YEMSGICYDBFFEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  141
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Methods of modulating neurotrophin-mediated activity
  申请人：Ross M. Gregory

  公开号：US20050282840A1

  公开（公告）日：2005-12-22

  Disclosed are compositions which modulate the interaction of nerve growth factor and brain-derived neurotrophic factor with neurotrophic receptors. Also disclosed are methods of using the compositions of the invention, including methods of administration.

  本发明揭示了一种调节神经生长因子和脑源性神经营养因子与神经营养受体相互作用的组合物。还揭示了使用该发明的组合物的方法，包括给药方法。
• 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.