4-溴-N-(2-甲氧基乙基)苯甲酰胺 | 95086-95-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-溴-N-(2-甲氧基乙基)苯甲酰胺
• 英文名称: 4-bromo-N-(2-methoxyethyl)benzamide
• 英文别名: N-(2-methoxyethyl)-p-bromobenzamide
• CAS: 95086-95-6
• 化学式: C₁₀H₁₂BrNO₂
• mdl: MFCD00461429
• 分子量: 258.115
• InChiKey: QGBXZRQTBCMBMB-UHFFFAOYSA-N

物化性质

• 沸点：
  375.8±27.0 °C(Predicted)
• 密度：
  1.392±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 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 、 4-溴-N-(2-甲氧基乙基)苯甲酰胺 在 tris-(dibenzylideneacetone)dipalladium(0) 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以52%的产率得到N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
  参考文献：
  名称：

  WO2008/20203

  摘要：

  公开号：
• 作为产物：
  描述：

  甲醇 、 1-(p-bromobenzoyl)aziridine 反应 5.0h， 以100%的产率得到4-溴-N-(2-甲氧基乙基)苯甲酰胺
  参考文献：
  名称：

  Nishimoto, Sei-ichi; Izukawa, Tsukuru; Haruta, Yasushi, Journal of the Chemical Society. Perkin transactions II, 1984, p. 1959 - 1962

  摘要：

  DOI：

文献信息

• [EN] KINASE MODULATORS AND METHODS OF USE THEREOF<br/>[FR] MODULATEURS DE KINASE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ORIGENIS GMBH

  公开号：WO2022011337A1

  公开（公告）日：2022-01-13

  The present invention relates to novel compounds that modulate the activity of one or more kinases, such as TYK2 or mutants thereof. The compounds, which may be kinase inhibitors or activators, are useful for treating autoimmune diseases, such as, such as psoriasis, lupus, multiple sclerosis, and inflammatory bowel disease.

  本发明涉及一种新颖的化合物，可调节一个或多个激酶的活性，例如TYK2或其突变体。这些化合物可能是激酶抑制剂或激活剂，用于治疗自身免疫性疾病，例如银屑病、红斑狼疮、多发性硬化和炎症性肠病。
• 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。
• Discovery and Optimization of a Novel Series of Potent Mutant B-Raf^V600E Selective Kinase Inhibitors
  作者：Melissa M. Vasbinder、Brian Aquila、Martin Augustin、Huawei Chen、Tony Cheung、Donald Cook、Lisa Drew、Benjamin P. Fauber、Steve Glossop、Michael Grondine、Edward Hennessy、Jeffrey Johannes、Stephen Lee、Paul Lyne、Mario Mörtl、Charles Omer、Sangeetha Palakurthi、Timothy Pontz、Jon Read、Li Sha、Minhui Shen、Stefan Steinbacher、Haixia Wang、Allan Wu、Minwei Ye

  DOI：10.1021/jm301658d

  日期：2013.3.14

  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.
• WO2008/68507
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] CHEMICAL COMPOUNDS-576<br/>[FR] COMPOSÉS CHIMIQUES 576
  申请人：ASTRAZENECA AB

  公开号：WO2008068507A2

  公开（公告）日：2008-06-12

  [EN] The invention relates to chemical compounds of the formula (I): or pharmaceutically 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.
  [FR] L'invention concerne des composés chimiques de formule (I) : ou des sels acceptables du point de vue pharmaceutique de ceux-ci, lesquels possèdent une activité d'inhibition du B-Raf et sont par conséquent utiles pour leur activité anticancéreuse et donc dans des procédés de traitement du corps de l'homme ou de l'animal. L'invention concerne également des procédés pour la fabrication desdits composés chimiques, des compositions pharmaceutiques contenant ceux-ci et l'utilisation de ceux-ci dans la fabrication de médicaments utiles pour produire un effet anticancéreux chez un animal à sang chaud et chez l'homme.