2-甲氧基-4-(三氟甲基)苄胺 | 771581-99-8

• 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: 2-甲氧基-4-(三氟甲基)苄胺
• 英文名称: [2-methoxy-4-(trifluoromethyl)phenyl]methanamine
• 英文别名: 2-Methoxy-4-(trifluoromethyl)benzylamine
• CAS: 771581-99-8
• 化学式: C₉H₁₀F₃NO
• 分子量: 205.18
• InChiKey: FEOVMOIWRLRBFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-甲氧基-4-(三氟甲基)苄胺 在 三苯基膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 24.17h， 生成 4-benzoyl-5-(4-bromophenyl)-1-(2-methoxy-4-(trifluoromethyl)phenyl)-3-isopropoxy-1H-pyrrol-2(5H)-one
  参考文献：
  名称：

  Discovery of 1-arylpyrrolidone derivatives as potent p53–MDM2 inhibitors based on molecule fusing strategy

  摘要：

  Introducing an aryl moiety to our previous pyrrolidone scaffold by molecule fusing strategy afforded two sets of isopropylether-pyrrolidone and alpha-phenylethylamine-pyrrolidone derivatives. Two novel compounds 8b and 8g of the latter serial showed potent p53-MDM2 inhibitory activities with K-i values of 90 nM which were three-time higher than that of the parent compound. We also confirmed compound 8b can activate p53 proteins in lung cancer A549 cells. The results offered us valuable information for further lead optimization. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.063
• 作为产物：
  描述：

  2-甲氧基-4-(三氟甲基)苯腈 在 lithium aluminium tetrahydride 作用下， 反应 12.0h， 生成 2-甲氧基-4-(三氟甲基)苄胺
  参考文献：
  名称：

  Discovery of 1-arylpyrrolidone derivatives as potent p53–MDM2 inhibitors based on molecule fusing strategy

  摘要：

  Introducing an aryl moiety to our previous pyrrolidone scaffold by molecule fusing strategy afforded two sets of isopropylether-pyrrolidone and alpha-phenylethylamine-pyrrolidone derivatives. Two novel compounds 8b and 8g of the latter serial showed potent p53-MDM2 inhibitory activities with K-i values of 90 nM which were three-time higher than that of the parent compound. We also confirmed compound 8b can activate p53 proteins in lung cancer A549 cells. The results offered us valuable information for further lead optimization. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.063

文献信息

• COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT
  申请人：ARDELYX, INC.

  公开号：US20140023611A1

  公开（公告）日：2014-01-23

  Compounds having activity as phosphate transport inhibitors, more specifically, inhibitors of intestinal apical membrane Na/phosphate co-transport, are disclosed. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  本发明涉及具有磷酸盐转运抑制活性的化合物，更具体地涉及肠道顶端膜Na/磷酸盐共转运的抑制剂。本发明还涉及与制备和使用此类化合物相关的方法，以及包含此类化合物的制药组合物。
• US8916569B2
  申请人：——

  公开号：US8916569B2

  公开（公告）日：2014-12-23
• US9301951B2
  申请人：——

  公开号：US9301951B2

  公开（公告）日：2016-04-05
• [EN] COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR L'INHIBITION DU TRANSPORT DE PHOSPHATE
  申请人：ARDELYX INC

  公开号：WO2012006475A1

  公开（公告）日：2012-01-12

  Compounds having activity as phosphate transport inhibitors, more specifically, inhibitors of intestinal apical membrane Na/phosphate co-transport, are disclosed. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.
• [EN] COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT<br/>[FR] COMPOSÉS ET PROCÉDÉS PERMETTANT D'INHIBER LE TRANSPORT DU PHOSPHATE
  申请人：ARDELYX INC

  公开号：WO2012054110A2

  公开（公告）日：2012-04-26

  Compounds having activity as phosphate transport inhibitors, more specifically, inhibitors of intestinal apical membrane Na/phosphate co-transport, are disclosed. The compounds have the following structure (I): (I) including stereoisomers, pharmaceutically acceptable salts and prodrugs thereof, wherein X, Y, A, R1 and R2 are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.