ethyl 2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate | 1228690-72-9

• 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: ethyl 2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate
• 英文别名: ethyl 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
• CAS: 1228690-72-9
• 化学式: C₁₆H₂₃BO₄
• 分子量: 290.167
• InChiKey: HPGZZDGRCJGYFU-UHFFFAOYSA-N

物化性质

• 沸点：
  386.1±25.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.09
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  [5-(2-bromo-thiazol-4-yl)-3-methyl-isoxazol-4-yl]-carbamic acid (R)-1-(2-fluoro-phenyl)-ethyl ester 、 ethyl 2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate 生成 [2-(4-{4-[(R)-1-(2-Fluoro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-thiazol-2-yl)-phenyl]-acetic acid ethyl ester
  参考文献：
  名称：

  ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS

  摘要：

  本文描述了一些抗溶血磷脂酸受体的化合物。还描述了包括上述化合物的药物组合物和药物，以及使用这些拮抗剂的方法，单独或与其他化合物结合，用于治疗依赖溶血磷脂酸或溶血磷脂酸介导的疾病或病症。

  公开号：

  US20110301142A1
• 作为产物：
  描述：

  邻溴苯乙酸 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 2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate
  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

• Identification of a novel class of autotaxin inhibitors through cross-screening
  作者：Diana Castagna、Emma L. Duffy、Dima Semaan、Louise C. Young、John M. Pritchard、Simon J. F. Macdonald、David C. Budd、Craig Jamieson、Allan J. B. Watson

  DOI：10.1039/c5md00081e

  日期：——

  Starting from the known LPA₁antagonist4, three novel series of autotaxin inhibitors exemplified by7,8and9were identified using a combination of scaffold hopping and ligand-based design.

  从已知的LPA₁拮抗剂4开始，通过骨架跳跃和基于配体的设计的组合，确定了以7，8和9为代表的三个新系列的自动税林抑制剂。
• COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS
  申请人：Seiders Thomas J.

  公开号：US20120289522A1

  公开（公告）日：2012-11-15

  Described herein are compounds that are antagonists of lysophosphatidic receptor(s). Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such antagonists, alone and in combination with other compounds, for treating LPA-dependent or LPA-mediated conditions or diseases.

  本文描述了一些拮抗溶血磷脂酸受体的化合物。还描述了包括上述化合物的药物组合物和药物，以及使用这些拮抗剂的方法，单独或与其他化合物联合治疗依赖于溶血磷脂酸或由其介导的疾病或病症。
• Antagonists of lysophosphatidic acid receptors
  申请人：Amira Pharmaceuticals, Inc.

  公开号：US08048902B2

  公开（公告）日：2011-11-01

  Described herein are compounds that are antagonists of lysophosphatidic receptor(s). Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such antagonists, alone and in combination with other compounds, for treating LPA-dependent or LPA-mediated conditions or diseases.

  本文描述了一些能够拮抗溶血磷脂酸受体的化合物。同时还描述了包括这些化合物的药物组成物和药物，以及使用这些拮抗剂的方法，单独或与其他化合物结合，用于治疗依赖于或介导溶血磷脂酸的疾病或病症。
• Compounds as lysophosphatidic acid receptor antagonists
  申请人：Seiders Thomas J

  公开号：US09090573B2

  公开（公告）日：2015-07-28

  Described herein are compounds that are antagonists of lysophosphatidic receptor(s). Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such antagonists, alone and in combination with other compounds, for treating LPA-dependent or LPA-mediated conditions or diseases.

  本文描述的是一些抗溶血磷脂受体的化合物。还描述了包括上述化合物的药物组合物和药物以及使用这些拮抗剂的方法，单独或与其他化合物结合，用于治疗LPA依赖性或LPA介导的疾病或病症。
• 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.