3-溴苯基硼酸甲基亚氨基二乙酸酯 | 943552-25-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 3-溴苯基硼酸甲基亚氨基二乙酸酯
• 中文别名: 2-(3-溴苯基)-6-甲基-1,3,6,2-二氧氮杂硼烷-4,8-二酮
• 英文名称: 2-(3-bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
• 英文别名: 3-bromophenylboronic acid MIDA ester；2-(3-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
• CAS: 943552-25-8
• 化学式: C₁₁H₁₁BBrNO₄
• 分子量: 311.928
• InChiKey: OTMWVBFJNBHZLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.18
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P264,P270,P301+P312+P330,P501
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  3-溴苯基硼酸甲基亚氨基二乙酸酯 在 potassium phosphate 、 水 、 palladium diacetate 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 (4-methyl-[1,1‘-biphenyl]-3-yl)boronic acid
  参考文献：
  名称：

  [EN] 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF
  [FR] INHIBITEURS DE LA 17-BÊTA-HYDROXYSTÉROÏDE DÉSHYDROGÉNASE DE TYPE 13 ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  The present invention provides compounds of Formula (I), pharmaceutical compositions comprising these compounds and methods of using these compounds to provides a method of modulating a HSD17B13 protein for treatment of metabolic disease or liver condition, The present invention relates generally to compounds and pharmaceutical compositions useful as 17β-HSD13 inhibitors. Specifically, the present invention relates to compounds useful as inhibitors of 17β-HSD13 and methods for their preparation and use.

  公开号：

  WO2023023310A1
• 作为产物：
  描述：

  N-甲基亚氨二乙酸 、 3-溴苯硼酸 以 二甲基亚砜 、 甲苯 为溶剂， 以83 %的产率得到3-溴苯基硼酸甲基亚氨基二乙酸酯
  参考文献：
  名称：

  [EN] 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF
  [FR] INHIBITEURS DE LA 17-BÊTA-HYDROXYSTÉROÏDE DÉSHYDROGÉNASE DE TYPE 13 ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  The present invention provides compounds of Formula (I), pharmaceutical compositions comprising these compounds and methods of using these compounds to provides a method of modulating a HSD17B13 protein for treatment of metabolic disease or liver condition, The present invention relates generally to compounds and pharmaceutical compositions useful as 17β-HSD13 inhibitors. Specifically, the present invention relates to compounds useful as inhibitors of 17β-HSD13 and methods for their preparation and use.

  公开号：

  WO2023023310A1

文献信息

• One-Pot Homologation of Boronic Acids: A Platform for Diversity-Oriented Synthesis
  作者：Calum W. Muir、Julien C. Vantourout、Albert Isidro-Llobet、Simon J. F. Macdonald、Allan J. B. Watson

  DOI：10.1021/acs.orglett.5b03030

  日期：2015.12.18

  Formal homologation of sp(2)-hybridized boronic acids is achieved via cross-coupling of boronic acids with conjunctive haloaryl BMIDA components in the presence of a suitably balanced basic phase. The utility of this approach to provide a platform for diversity-oriented synthesis in discovery medicinal chemistry is demonstrated in the context of the synthesis of a series of analogues of a BET bromodomain inhibitor.
• Microwave-mediated synthesis of N-methyliminodiacetic acid (MIDA) boronates
  作者：Adam J. Close、Paul Kemmitt、Matthew K. Emmerson、John Spencer

  DOI：10.1016/j.tet.2014.09.044

  日期：2014.11

  A library of over 20, mainly aryl or heteroaryl, N-methyliminodiacetic acid (MIDA) boronates have been synthesised. A rapid microwave-mediated (MW) method (5-10 min) has been developed using polyethylene glycol 300 (PEG 300) as solvent. However, acetonitrile (MeCN) and dimethylformamide (DMF) were found to be alternative solvents, the latter especially for 2-substituted aryl boronic acids. Crown Copyright (C) 2014 Published by Elsevier Ltd. All rights reserved.
• [EN] 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE LA 17-BÊTA-HYDROXYSTÉROÏDE DÉSHYDROGÉNASE DE TYPE 13 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：[en]ENANTA PHARMACEUTICALS, INC.

  公开号：WO2023023310A1

  公开（公告）日：2023-02-23

  The present invention provides compounds of Formula (I), pharmaceutical compositions comprising these compounds and methods of using these compounds to provides a method of modulating a HSD17B13 protein for treatment of metabolic disease or liver condition, The present invention relates generally to compounds and pharmaceutical compositions useful as 17β-HSD13 inhibitors. Specifically, the present invention relates to compounds useful as inhibitors of 17β-HSD13 and methods for their preparation and use.