3-(4-Boc-1-哌嗪基甲基)苯硼酸频哪醇酯 | 883738-19-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 3-(4-Boc-1-哌嗪基甲基)苯硼酸频哪醇酯
• 英文名称: tert-butyl 4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylate
• 英文别名: tert-butyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate；1,1-dimethylethyl 4-{[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1-piperazinecarboxylate
• CAS: 883738-19-0
• 化学式: C₂₂H₃₅BN₂O₄
• mdl: MFCD16294542
• 分子量: 402.342
• InChiKey: KBHWOVSSXKGKLY-UHFFFAOYSA-N

物化性质

• 沸点：
  493.6±45.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.35
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.681
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(4-Boc-1-哌嗪基甲基)苯硼酸频哪醇酯 在 四(三苯基膦)钯 potassium carbonate 、 苯硼酸 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 0.83h， 生成 N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3-(piperazin-1-ylmethyl)phenyl)imidazo[1,2-f]pyrimidin-5-amine
  参考文献：
  名称：

  Kinase inhibitors

  摘要：

  提供用于与激酶结合的化合物、药物组合物和试剂盒，所述化合物是从以下组中选择的： 其中变量如本文所述定义。

  公开号：

  US20060084650A1
• 作为产物：
  描述：

  N-Boc-哌嗪 、 3-(4,4,5,5-四甲基-1,3,2-二氧硼烷)苯甲醛 在 溶剂黄146 、 三乙酰氧基硼氢化钠 作用下， 以 DCM 、 二氯甲烷 为溶剂， 反应 0.17h， 以100%的产率得到3-(4-Boc-1-哌嗪基甲基)苯硼酸频哪醇酯
  参考文献：
  名称：

  Dual Pharmacophores - PDE4-Muscarinic Antagonistics

  摘要：

  本发明涉及具有式（I）的新化合物及其药用盐，药物组合物及其用作对PDE4和肌胆碱受体（mAChRs）具有抑制活性的双色素，因此可用于治疗呼吸道疾病。

  公开号：

  US20090203657A1

文献信息

• KINASE INHIBITORS
  申请人：Dong Qing

  公开号：US20100216765A1

  公开（公告）日：2010-08-26

  Compounds, pharmaceutical compositions and kits are provided for use with kinases that comprise a compound selected from the group consisting of: wherein the variables are as defined herein.

  本发明提供了用于与包括以下化合物的激酶一起使用的化合物、制药组合物和试剂盒：其中变量如本文中所定义。
• [EN] HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1)<br/>[FR] COMPOSÉS D'AMINO PYRIDINE HALO-SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE LA KINASE DES PROGÉNITEURS HÉMATOPOÏÉTIQUES 1 (HPK1)
  申请人：ONTARIO INSTITUTE FOR CANCER RES OICR

  公开号：WO2022226668A1

  公开（公告）日：2022-11-03

  The present application relates to halo-substituted heterocyclic compounds of Formula (I): or pharmaceutically acceptable salts, solvates and/or prodrugs thereof, to compositions comprising these compounds or pharmaceutically acceptable salts, solvates and/or prodrugs thereof, and various uses in the treatment of diseases, disorders or conditions that are treatable by inhibiting HPK1, such as cancer.

  本申请涉及公式（I）的卤代杂环化合物或其药学上可接受的盐、溶剂或前药，以及包含这些化合物或药学上可接受的盐、溶剂或前药的组合物，以及在治疗可通过抑制HPK1来治疗的疾病、紊乱或情况方面的各种用途，例如癌症。
• Microwave-Mediated Synthesis of an Arylboronate Library
  作者：John Spencer、Christine B. Baltus、Hiren Patel、Neil J. Press、Samantha K. Callear、Louise Male、Simon J. Coles

  DOI：10.1021/co100011g

  日期：2011.1.10

  A series of arylboronates has been synthesized from the reaction of 2-(2-, (3-, or (4-(bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 11-3) respectively with a range of N-, S-, and O-nucleophiles, using microwave-mediated chemistry. For the synthesis of N- and S-substituted boronates, a supported base, PS-NMM, was employed, and many reactions were complete within 15 min. With O-nucleophiles, a mixture of tetrabutylammonium bromide, potassium carbonate, and sodium hydroxide was employed. The resulting aminomethyl, mercaptomethyl, or alkoxy-/phenoxymethyl-arylboronates were subjected to microwave-mediated Suzuki Miyaura coupling reactions to afford a range of biaryls in moderate to good yields. The X-ray structures of five boronates were determined.
• Synthesis of a (piperazin-1-ylmethyl)biaryl library via microwave-mediated Suzuki–Miyaura cross-couplings
  作者：John Spencer、Christine B. Baltus、Neil J. Press、Ross W. Harrington、William Clegg

  DOI：10.1016/j.tetlet.2011.05.025

  日期：2011.8

  Boc-protected (piperazin-1-ylmethyl)biaryls have been synthesised from (Boc-piperazin-1-ylmethyl) phenylboronic acid pinacol esters via a microwave-mediated Suzuki-Miyaura coupling with aryl bromides viz. 1-bromo-, 2-, 3- or 4-nitrobenzene or 2-bromo-5-nitropyridine. Judicial removal of the protecting group on the piperazine, or facile reduction of the nitro group on the biaryl system enabled the manipulation of two points of functionality in order to diversify the scope of the resulting biaryl library. (C) 2011 Elsevier Ltd. All rights reserved.
• PYRIDAZINON DERIVATIVES AS KAT2 DEGRADERS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS
  申请人：[en]AURON THERAPEUTICS, INC.

  公开号：WO2024050078A1

  公开（公告）日：2024-03-07

  Provided herein are heterocyclic phenyl compounds useful as degraders of KAT2, as well as compositions and methods of use thereof.