3,5-diamino-4'-amino-trans-stilbene | 1179382-94-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 3,5-diamino-4'-amino-trans-stilbene
• 英文别名: 3,5-Diamino-4''-amino-trans-stilbene；5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diamine
• CAS: 1179382-94-5
• 化学式: C₁₄H₁₅N₃
• 分子量: 225.293
• InChiKey: QRFAISVLMWANDO-OWOJBTEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 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：
  78.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,5-dinitro-4'-nitro-trans-stilbene 在 乙醇 、 tin(ll) chloride 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 2.5h， 以61%的产率得到3,5-diamino-4'-amino-trans-stilbene
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer

  摘要：

  A series of new resveratrol analogues were designed and synthesized and their inhibitory activities against aromatase were evaluated. The crystal structure of human aromatase (PDB 3eqm) was used to rationalize the mechanism of action of the aromatase inhibitor 32 (IC50 0.59 mu M) through docking, molecular mechanics energy minimization, and computer graphics molecular modeling, and the information was utilized to design several very potent inhibitors, including compounds 82 (IC50 70 nM) and 84 (IC50 36 nM). The aromatase inhibitory activities of these compounds are much more potent than that for the lead compound resveratrol, which has an IC50 of 80 mu M. In addition to aromatase inhibitory activity, compounds 32 and 44 also displayed potent QR2 inhibitory activity (IC50 1.7 mu M and 0.27 mu M, respectively) and the high-resolution X-ray structures of QR2 in complex with these two compounds provide insight into their mechanism of QR2 inhibition. The aromatase and quinone reductase inhibitors resulting from these studies have potential value in the treatment and prevention of cancer. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.05.042

文献信息

• Emulsion Cosmetic Compositions Containing Resveratrol Derivatives And Linear Or Branched Silicone
  申请人：Maes Daniel H.

  公开号：US20090035242A1

  公开（公告）日：2009-02-05

  An emulsion cosmetic composition comprising at least one resveratrol derivative, a water phase, and an oil phase containing at least one linear or branched volatile or near volatile silicone and a method for delivering active resveratrol to the skin.

  一种乳液化妆品组合物，包括至少一种白藜芦醇衍生物、水相和油相，其中油相包含至少一种线性或支链挥发性或准挥发性硅氧烷，并且提供一种向皮肤传递活性白藜芦醇的方法。
• Anhydrous Cosmetic Compositions Containing Resveratrol Derivatives
  申请人：Czarnota Anna

  公开号：US20090035243A1

  公开（公告）日：2009-02-05

  An anhydrous color cosmetic composition comprising at least one resveratrol derivative and particulates; and an anhydrous emulsion skin care composition.

  一种无水色彩化妆品组合物，包括至少一种白藜芦醇衍生物和粒状物质；以及一种无水乳化皮肤护理组合物。
• Emulsion Cosmetic Compositions Containing Resveratrol Derivatives And An Oil Phase Structuring Agent
  申请人：Maes Daniel H.

  公开号：US20090035236A1

  公开（公告）日：2009-02-05

  An emulsion cosmetic composition comprising at least one resveratrol derivative, an aqueous phase, and an oil phase having at and at least one oil phase structuring agent, and a method for preparing emulsions capable of delivering active resveratrol to the skin.

  一种乳液化妆品组合物，包括至少一种白藜芦醇衍生物、水相、油相和至少一种油相结构调节剂，并提供了一种制备乳液，能够将活性白藜芦醇输送到皮肤的方法。
• Emulsion Cosmetic Compositions Containing Resveratrol Derivatives And Silicone Surfactant
  申请人：Maes Daniel H.

  公开号：US20090035237A1

  公开（公告）日：2009-02-05

  An emulsion cosmetic composition comprising at least one resveratrol derivative, an aqueous phase, and an oil phase, having at least one silicone surfactant, and a method for preparing emulsions capable of delivering active resveratrol to the skin.

  一种乳液化妆品组合物，包括至少一种白藜芦醇衍生物、一种水相和一种油相，至少含有一种硅油表面活性剂，并且制备能够向皮肤传递活性白藜芦醇的乳液的方法。
• Aqueous Based Cosmetic Compositions Containing Resveratrol Derivatives And An Aqueous Phase Structuring Agent
  申请人：Maes Daniel H.

  公开号：US20090035240A1

  公开（公告）日：2009-02-05

  An aqueous based cosmetic composition comprising at least one resveratrol derivative and a water phase containing at least one aqueous phase structuring agent; or an emulsion composition comprising at least one water phase, at least one oil phase containing at least one nonvolatile silicone, and at least one resveratrol derivative.

  一种水基化妆品组合物，包括至少一种白藜芦醇衍生物和含有至少一种水相结构调节剂的水相；或者包括至少一种水相，至少一种含有至少一种非挥发性硅氧烷的油相，以及至少一种白藜芦醇衍生物的乳化组合物。