N-(1-(4-bromophenyl)ethyl)-3-methoxypropanamide | 1008505-34-7

• 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-(1-(4-bromophenyl)ethyl)-3-methoxypropanamide
• 英文别名: N-[1-(4-bromophenyl)ethyl]-3-methoxypropanamide
• CAS: 1008505-34-7
• 化学式: C₁₂H₁₆BrNO₂
• 分子量: 286.169
• InChiKey: QWZDDNUYPGCECW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-(4-吡啶基)-2-喹唑啉胺 、 N-(1-(4-bromophenyl)ethyl)-3-methoxypropanamide 在 palladium diacetate 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 生成 3-methoxy-N-(1-{4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl}ethyl)propanamide
  参考文献：
  名称：

  Discovery and Optimization of a Novel Series of Potent Mutant B-Raf^V600E Selective Kinase Inhibitors

  摘要：

  B-Raf represents an attractive target for anticancer therapy and the development of small molecule B-Raf inhibitors has delivered new therapies for metastatic melanoma patients. We have discovered a novel class of small molecules that inhibit mutant B-Raf(V600E) kinase activity both in vitro and in vivo. Investigations into the structure-activity relationships of the series are presented along with efforts to improve upon the cellular potency, solubility, and phannacokinetic profile. Compounds selectively inhibited B-Raf(V600E) in vitro and showed preferential antiproliferative activity in mutant B-Raf(V600E) cell lines and exhibited selectivity in a kinase panel against other kinases. Examples from this series inhibit growth of a B-Raf(V600E) A375 xenograft in vivo at a well-tolerated dose. In addition, aminoquinazolines described herein were shown to display pERK elevation in nonmutant B-Raf cell lines in vitro.

  DOI：

  10.1021/jm301658d
• 作为产物：
  描述：

  methoxypropionyl chloride 、 4-溴-α-甲基苄胺 以 水 为溶剂， 反应 0.25h， 生成 N-(1-(4-bromophenyl)ethyl)-3-methoxypropanamide
  参考文献：
  名称：

  Discovery and Optimization of a Novel Series of Potent Mutant B-Raf^V600E Selective Kinase Inhibitors

  摘要：

  B-Raf represents an attractive target for anticancer therapy and the development of small molecule B-Raf inhibitors has delivered new therapies for metastatic melanoma patients. We have discovered a novel class of small molecules that inhibit mutant B-Raf(V600E) kinase activity both in vitro and in vivo. Investigations into the structure-activity relationships of the series are presented along with efforts to improve upon the cellular potency, solubility, and phannacokinetic profile. Compounds selectively inhibited B-Raf(V600E) in vitro and showed preferential antiproliferative activity in mutant B-Raf(V600E) cell lines and exhibited selectivity in a kinase panel against other kinases. Examples from this series inhibit growth of a B-Raf(V600E) A375 xenograft in vivo at a well-tolerated dose. In addition, aminoquinazolines described herein were shown to display pERK elevation in nonmutant B-Raf cell lines in vitro.

  DOI：

  10.1021/jm301658d

文献信息

• [EN] PESTICIDAL ARYLPYRROLIDINES<br/>[FR] ARYLPYRROLIDINES PESTICIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2011080211A1

  公开（公告）日：2011-07-07

  The present invention relates to novel pesticidal arylpyrrolidine compounds (arylpyrrolidines) having the general formula (I) wherein A, X1, X2, X3, X4, R1, R2, R3, R4, and G are as defined in the application and their use as pesticide, in particular for combating animal pests which occur in the agricultural and / or the veterinary field, as well as to a preparation methods for preparing such compounds.

  本发明涉及一种新型杀虫剂芳基吡咯烷化合物（芳基吡咯烷），其通式为（I），其中A，X1，X2，X3，X4，R1，R2，R3，R4和G如申请中所定义，并且它们的用途作为杀虫剂，特别是用于防治农业和/或兽医领域中出现的动物害虫，以及用于制备这种化合物的制备方法。
• PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS
  申请人：Aquila Brian

  公开号：US20100216791A1

  公开（公告）日：2010-08-26

  The invention relates to chemical compounds of the formula (I) or pharmaceutically acceptable salts thereof, which possess B-Raf inhibitory activity and are accordingly useful for their anti cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments of use in the production of an anti-cancer effect in a warm blooded animal such as man.

  本发明涉及化学式（I）的化合物或其药学上可接受的盐，其具有B-Raf抑制活性，因此在抗癌活性和人或动物体的治疗方法中有用。本发明还涉及制造所述化学化合物的过程，包含它们的制药组合物以及它们在制造用于产生温血动物（例如人）中的抗癌效应的药物中的使用。
• Pesticidal Arylpyrrolidines
  申请人：Mihara Jun

  公开号：US20120322833A1

  公开（公告）日：2012-12-20

  The present invention relates to novel pesticidal arylpyrrolidine compounds (arylpyrrolidines) having the general formula (I) wherein A, X 1 , X 2 , X 3 , X 4 , R 1 , R 2 , R 3 , R 4 , and G are as defined in the application and their use as pesticide, in particular for combating animal pests which occur in the agricultural and/or the veterinary field, as well as to a preparation methods for preparing such compounds.

  本发明涉及一种新型杀虫的芳基吡咯烷化合物（芳基吡咯烷），其通式为（I），其中A、X1、X2、X3、X4、R1、R2、R3、R4和G如本申请中所定义，并且它们的用途是作为杀虫剂，特别是用于防治农业和/或兽医领域中出现的动物害虫，还包括制备这种化合物的制备方法。
• WO2008/20203
  申请人：——

  公开号：——

  公开（公告）日：——
• WO2008/68507
  申请人：——

  公开号：——

  公开（公告）日：——