3-((3-((4-(piperidin-1-yl)-2-(6-((1-(3-(trifluoromethyl)phenyl)ethyl)amino)pyrimidin-4-yl)phenyl)carbamoyl)benzyl)thio)propanoic acid

• 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: 3-((3-((4-(piperidin-1-yl)-2-(6-((1-(3-(trifluoromethyl)phenyl)ethyl)amino)pyrimidin-4-yl)phenyl)carbamoyl)benzyl)thio)propanoic acid
• 英文别名: 3-(3-(4-(Piperidin-1-yl)-2-(6-(1-(3-(trifluoromethyl)phenyl)ethylamino)-pyrimidin-4-yl)phenylcarbamoyl)benzylthio)propanoic acid；3-[[3-[[4-piperidin-1-yl-2-[6-[1-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid
• 化学式: C₃₅H₃₆F₃N₅O₃S
• 分子量: 663.764
• InChiKey: PVFZANFSRHICDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  47
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  133
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  间三氟甲基苯乙酮 在 titanium(IV) isopropylate 、 4-二甲氨基吡啶 、 tris(dibenzylideneacetone)dipalladium(0) chloroform complex 、 氨 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 溶剂黄146 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 、 锌 作用下， 以 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 12.0h， 生成 3-((3-((4-(piperidin-1-yl)-2-(6-((1-(3-(trifluoromethyl)phenyl)ethyl)amino)pyrimidin-4-yl)phenyl)carbamoyl)benzyl)thio)propanoic acid
  参考文献：
  名称：

  Compounds and methods for inhibiting phosphate transport

  摘要：

  揭示了具有磷酸盐转运抑制活性的化合物，更具体地说，是肠道顶端膜Na/磷酸盐共转运的抑制剂。这些化合物具有以下结构（I）： 包括立体异构体、药用可接受的盐和前药，其中X、Y、A、R1和R2如本文所定义。还公开了与制备和使用这些化合物相关的方法，以及包含这些化合物的药物组合物。

  公开号：

  US09301951B2

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.