AG 1801 | 856243-82-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: AG 1801
• 英文别名: 2-Propenamide, 2-cyano-3-(4-nitrophenyl)-N-(phenylmethyl)-；(E)-N-benzyl-2-cyano-3-(4-nitrophenyl)prop-2-enamide
• CAS: 856243-82-8
• 化学式: C₁₇H₁₃N₃O₃
• 分子量: 307.309
• InChiKey: GBMZRAHROINDEX-XNTDXEJSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  98.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对硝基苯甲醛 、 N-(cyanoacetyl)benzylamide 、 β-丙氨酸 以 乙醇 为溶剂， 反应 5.0h， 以gave 0.67 g, 73% yield, light yellow solid, mp-164°的产率得到AG 1801
  参考文献：
  名称：

  Pharmaceutical compositions comprising tyrphostins

  摘要：

  化合物用于对细胞、组织或器官的不良毒性效应进行对抗，其化学式为（I），其中：Ar是式（i）或（ii）的化合物基团，n为0或者当Ar为上述式（i）时，n也可以为1；R为CN，—GC(S)NH2，—C(O)NHR3或者当R1为4-NO2而R2为H或3-OH时，R也可以为式（iii）、（iv）、（v）、（vi）中的化合物基团，其中R3为H、苯基、苯基（较低烷基）或吡啶基甲基；R1和R2各自独立地为H、OH、NO2或者当R为CN时，也可以为CH3、F或CF3，但R1和R2不能同时为H。

  公开号：

  US06426366B1

文献信息

• TRYPHOSTIN-ANALOGS FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES
  申请人：Donato Nicholas J

  公开号：US20100292229A1

  公开（公告）日：2010-11-18

  The present invention concerns compounds and their use to treat cell proliferative diseases such as cancer. In general aspects, compounds of the present invention are tyrphostin-like in structure. Compounds of the present invention, in certain embodiments, display significant potency by causing, for example, inhibition of Stat3 activation, reduction in c-myc protein levels and/or induction of apoptosis in tumor cells. In general aspects, compounds of the present invention induce one or more of these activities at nanomolar concentrations and typically function through a unique mechanism involving the induction of stress granules that bind specific signaling molecules and prevent them from participating in signal transduction and oncogenesis.

  本发明涉及化合物及其用于治疗细胞增殖性疾病，如癌症。在一般方面，本发明的化合物在结构上类似于酪氨酸激酶抑制剂。在某些实施例中，本发明的化合物通过诱导应激颗粒结合特定信号分子并阻止它们参与信号转导和肿瘤发生，从而表现出显著的效力，例如抑制Stat3激活、降低c-myc蛋白水平和/或诱导肿瘤细胞凋亡。在一般方面，本发明的化合物在纳摩尔浓度下诱导这些活性中的一个或多个，并通常通过诱导应激颗粒的独特机制发挥作用，这些应激颗粒结合特定信号分子并防止它们参与信号转导和肿瘤发生。
• INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION
  申请人：Board of Regents, The University of Texas System

  公开号：EP2506852A2

  公开（公告）日：2012-10-10
• Methods of Treating Skin Disorders with Caffeic Acid Analogs
  申请人：Priebe Waldemar

  公开号：US20100152143A1

  公开（公告）日：2010-06-17

  Embodiments of the invention generally relate to pharmaceutical compositions containing at least one caffeic acid compound and methods for the topical treatment of proliferative and inflammatory skin disorders such as plaque psoriasis, atopic dermatitis, and other disorders. In some embodiments, the topical treatment includes applications of the pharmaceutical composition containing at least one caffeic acid compound or a mixture of caffeic acid compounds such as caffeic acid ester compounds, caffeic acid amide compounds, analogues thereof, derivatives thereof, salts thereof, or mixtures thereof. The pharmaceutical composition or topical dosage may contain the caffeic acid compound at a concentration by weight within a range from about 0.01% to about 20%, preferably, from about 0.1% to about 15%, preferably, from about 1% to about 10%, more preferably, from about 3% to about 7%, and more preferably, from about 4% to about 6%.
• COMPOUNDS FOR TREATMENT OF CELL PROLIFERATIVE DISEASES
  申请人：Priebe Waldemar

  公开号：US20110021805A1

  公开（公告）日：2011-01-27

  The present invention concerns compounds and their use to treat cell proliferative diseases such as cancer. Compounds of the present invention display significant potency as kinase inhibitors, cause the downregulation of c-myc, and inhibit the growth and survival of cancerous cell lines.
• METHODS OF TREATING DERMATOLOGIC, GYNECOLOGIC, AND GENITAL DISORDERS WITH CAFFEIC ACID ANALOGS
  申请人：Priebe Anna

  公开号：US20110275577A1

  公开（公告）日：2011-11-10

  The present invention relates to caffeic acid analog compounds and methods which may be useful for regeneration, cellular programming, and the treatment of dermatologic, gynecologic, and genital diseases such as inflammatory dermatologic conditions, dysplasia, neoplasia, in situ carcinoma, invasive carcinoma, lichen sclerosus, lichen planus, vaginal dysplasia, vaginal carcinoma, vulvar dysplasia, vulvar carcinoma, cervical dysplasia, cervical carcinoma, and Kaposi's sarcoma.