5-bromomethyl-3-(3-p-tolyl-ureido)-thiophene-2-carboxylic acid methyl ester

• 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: 5-bromomethyl-3-(3-p-tolyl-ureido)-thiophene-2-carboxylic acid methyl ester
• 英文别名: methyl 5-(bromomethyl)-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate
• 化学式: C₁₅H₁₅BrN₂O₃S
• 分子量: 383.266
• InChiKey: PEADCOWIDLRFLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  95.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-hydroxymethyl-3-(3-p-tolyl-ureido)-thiophene-2-carboxylic acid methyl ester 在 N-溴代丁二酰亚胺(NBS) 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以42%的产率得到5-bromomethyl-3-(3-p-tolyl-ureido)-thiophene-2-carboxylic acid methyl ester
  参考文献：
  名称：

  RAF KINASE INHIBITORS

  摘要：

  公开号：

  EP0986382B1

文献信息

• Raf kinase inhibitors
  申请人：BAYER CORPORATION and ONYX PHARMACEUTICALS West Haven, CT and Richmond, CA, respectively

  公开号：US20010006975A1

  公开（公告）日：2001-07-05

  Methods of treating tumors mediated by raf kinase, with substituted urea compounds, and such compounds per se.

  通过使用替代尿素化合物和这些化合物本身，治疗由Raf激酶介导的肿瘤的方法。
• Raf Kinase Inhibitors
  申请人：WOOD Jill E.

  公开号：US20100063088A1

  公开（公告）日：2010-03-11

  Methods of treating tumors mediated by raf kinase, with substituted urea compounds, and such compounds per se.

  使用替代尿素类化合物治疗由Raf激酶介导的肿瘤的方法，以及这些化合物本身。
• EP0986382A4
  申请人：——

  公开号：EP0986382A4

  公开（公告）日：2001-04-11
• JP2010065047A
  申请人：——

  公开号：JP2010065047A

  公开（公告）日：2010-03-25
• METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS GRP94
  申请人：Ferrone Soldano

  公开号：US20120148598A1

  公开（公告）日：2012-06-14

  Combinations of agents that have a synergistic effect for the treatment of a tumor are disclosed herein. These combinations of agents can be used to treat tumors, wherein the cells of the cancer express a mutated BRAF. Methods are disclosed for treating a subject diagnosed with a tumor that expresses a mutated BRAF. The methods include administering to the subject (1) a therapeutically effective amount of an antibody or antigen binding fragment thereof that specifically binds glucose regulated protein (GRP) 94; and (2) a therapeutically effective amount of a BRAF inhibitor. In some embodiments, the tumor is melanoma. In some embodiments the method includes selecting a subject with primary or secondary resistance to a BRAF inhibitor. In further embodiments, treating the tumor comprises decreasing the metastasis of the tumor. In additional embodiments, the BRAF inhibitor comprises PLX4032 or PLX4720.