Ethyl 3-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate | 1198615-84-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Ethyl 3-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate
• 英文别名: ethyl 3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
• CAS: 1198615-84-7
• 化学式: C₁₇H₂₅BO₄
• 分子量: 304.194
• InChiKey: UFNHTIVEXCXWJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.48
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4S,5R)-3-(2-bromo-5-trifluoromethyl-benzyl)-4-methyl-5-phenyl-oxazolidin-2-one 、 Ethyl 3-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 生成
  参考文献：
  名称：

  Discovery and optimization of a biphenylacetic acid series of prostaglandin D2 receptor DP2 antagonists with efficacy in a murine model of allergic rhinitis

  摘要：

  Biphenylacetic acid (5) was identified through a library screen as an inhibitor of the prostaglandin D-2 receptor DP2 (CRTH2). Optimization for potency and pharmacokinetic properties led to a series of selective CRTH2 antagonists. Compounds demonstrated potency in a human DP2 binding assay and a human whole blood eosinophil shape change assay, as well as good oral bioavailability in rat and dog, and efficacy in a mouse model of allergic rhinitis following oral dosing. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.01.024
• 作为产物：
  描述：

  3-(2-溴苯基)丙酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 氯化亚砜 、 potassium acetate 作用下， 以 1,4-二氧六环 为溶剂， 生成 Ethyl 3-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate
  参考文献：
  名称：

  Discovery and optimization of a biphenylacetic acid series of prostaglandin D2 receptor DP2 antagonists with efficacy in a murine model of allergic rhinitis

  摘要：

  Biphenylacetic acid (5) was identified through a library screen as an inhibitor of the prostaglandin D-2 receptor DP2 (CRTH2). Optimization for potency and pharmacokinetic properties led to a series of selective CRTH2 antagonists. Compounds demonstrated potency in a human DP2 binding assay and a human whole blood eosinophil shape change assay, as well as good oral bioavailability in rat and dog, and efficacy in a mouse model of allergic rhinitis following oral dosing. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.01.024

文献信息

• [EN] PYRIDIZIN-3(2H)-ONE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRIDINE-3(2H)-ONE
  申请人：[en]GILEAD SCIENCES, INC.

  公开号：WO2023076983A1

  公开（公告）日：2023-05-04

  Provided herein is a compound of Formula (I) wherein the various substituents are described herein.
• Discovery and optimization of a biphenylacetic acid series of prostaglandin D2 receptor DP2 antagonists with efficacy in a murine model of allergic rhinitis
  作者：Jill M. Scott、Christopher Baccei、Gretchen Bain、Alex Broadhead、Jilly F. Evans、Patrick Fagan、John H. Hutchinson、Christopher King、Daniel S. Lorrain、Catherine Lee、Peppi Prasit、Pat Prodanovich、Angelina Santini、Brian A. Stearns

  DOI：10.1016/j.bmcl.2011.01.024

  日期：2011.11

  Biphenylacetic acid (5) was identified through a library screen as an inhibitor of the prostaglandin D-2 receptor DP2 (CRTH2). Optimization for potency and pharmacokinetic properties led to a series of selective CRTH2 antagonists. Compounds demonstrated potency in a human DP2 binding assay and a human whole blood eosinophil shape change assay, as well as good oral bioavailability in rat and dog, and efficacy in a mouse model of allergic rhinitis following oral dosing. (C) 2011 Published by Elsevier Ltd.