4-(4-methoxyphenoxy)benzene boronic acid | 620632-57-7

• 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: 4-(4-methoxyphenoxy)benzene boronic acid
• 英文别名: 4-(4-methoxyphenoxy)phenylboronic acid；[4-(4-methoxyphenoxy)phenyl]boronic acid
• CAS: 620632-57-7
• 化学式: C₁₃H₁₃BO₄
• 分子量: 244.055
• InChiKey: YIKXGDJJOCSCDO-UHFFFAOYSA-N

物化性质

• 沸点：
  413.1±55.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.17
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-methoxyphenoxy)benzene boronic acid 生成 4-[4-(3-Phenyl-isoxazol-5-yl)-phenoxy]-phenol
  参考文献：
  名称：

  Potent, selective pyrimidinetrione-based inhibitors of MMP-13

  摘要：

  Using SAR from two related series of pyrimidinetrione-based inhibitors, compounds with potent MMP-13 inhibition and > 100-fold selectivity against other MMPs have been identified. Despite high molecular weights, c log Ps, and polar surface areas, the compounds are generally well absorbed and have excellent pharmacokinetic (PK) properties when dosed as sodium salts. In a rat fibrosis model, a compound from the series displayed no fibrosis at exposures many fold greater than its MMP-13 IC50. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.066
• 作为产物：
  描述：

  对溴碘苯 在 copper(l) iodide 、 正丁基锂 、 N,N-二甲基甘氨酸 、 caesium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 15.5h， 生成 4-(4-methoxyphenoxy)benzene boronic acid
  参考文献：
  名称：

  EP4180432A1

  摘要：

  公开号：

文献信息

• Triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors
  申请人：——

  公开号：US20040006057A1

  公开（公告）日：2004-01-08

  The present invention relates to triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione; metalloproteinase inhibitors of the formula 1 wherein X, A, Y, B, G, W, and R 1 are as defined in the specification, and to pharmaceutical compositions and methods of treating inflammation, cancer and other disorders.

  本发明涉及三芳基氧基吡啶二酮类金属蛋白酶抑制剂，其化学式为1，其中X、A、Y、B、G、W和R1如规范中所定义，并涉及用于治疗炎症、癌症和其他疾病的药物组合物和方法。
• PURINONE COMPOUNDS AS KINASE INHIBITORS
  申请人：Pharmacyclics, Inc.

  公开号：US20140378446A1

  公开（公告）日：2014-12-25

  Disclosed herein are compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. In addition, reversible inhibitors of Btk are also described. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are disclosed, alone or in combination with other therapeutic agents, for the treatment of autoimmune diseases or conditions, heteroimmune diseases or conditions, cancer, including lymphoma, and inflammatory diseases or conditions.

  本文披露了一些与布鲁顿酪氨酸激酶（Btk）形成共价键的化合物。还描述了Btk的不可逆抑制剂。此外，还描述了Btk的可逆抑制剂。还披露了包括这些化合物的制药组合物。披露了使用Btk抑制剂的方法，单独或与其他治疗剂联合使用，用于治疗自身免疫疾病或状况，异种免疫疾病或状况，癌症，包括淋巴瘤，以及炎症性疾病或状况。
• Stereoselective and regioselective Heck arylation at C-17 exocyclic double bond of andrographolide to generate labdane-based lead molecule against acute lung injury
  作者：Amit Kumar、Abhishek Gour、Sumit Dhiman、Nandagopal Hudait、Puneet Kumar、Deepika Vashishth、Sarabjit Kaur、Sheikh Tasduq Abdullah、Utpal Nandi、Debaraj Mukherjee

  DOI：10.1016/j.molstruc.2023.135568

  日期：2023.8

  vitro/in vivo (preclinical and clinical) studies against COVID-19 infection, for which hardly any effective drug is available to date. Due to complexity of its chemical structure, stereoselective and regioselective Heck arylation reactions at C-17 exocyclic double bond of AG-1 is a major challenge and we stepped forward to generate a small focused library of compounds. Among all the molecules, AG-12 and

  基于针对 COVID-19 感染的计算机/体外/体内（临床前和临床）研究，穿心莲内酯 (AG-1) 被确定为一种有吸引力的支架，迄今为止几乎没有任何有效药物可用。由于其化学结构的复杂性，AG-1 的 C-17 环外双键的立体选择性和区域选择性 Heck 芳基化反应是一项重大挑战，我们着手生成一个小型的重点化合物库。在所有分子中，预计 AG-12 和 AG-13 具有比 AG-1 更好的药代动力学特征。经体内评价AG-12 和 AG-13 与使用 LPS 诱导的急性肺损伤模型的 AG-1 相比，AG-13 显示出对减少中性粒细胞计数、最小化氧化应激和抑制炎性细胞因子有希望的作用。此外，应进行先导优化，以开发潜在的天然产物驱动的疗法，以对抗 COVID-19 期间的急性呼吸窘迫综合征 (ARDS) 情况。
• Potent, selective pyrimidinetrione-based inhibitors of MMP-13
  作者：Lawrence A. Reiter、Kevin D. Freeman-Cook、Christopher S. Jones、Gary J. Martinelli、Amy S. Antipas、Martin A. Berliner、Kaushik Datta、James T. Downs、James D. Eskra、Michael D. Forman、Elaine M. Greer、Roberto Guzman、Joel R. Hardink、Fouad Janat、Nandell F. Keene、Ellen R. Laird、Jennifer L. Liras、Lori L. Lopresti-Morrow、Peter G. Mitchell、Jayvardhan Pandit、Donald Robertson、Diana Sperger、Marcie L. Vaughn-Bowser、Darra M. Waller、Sue A. Yocum

  DOI：10.1016/j.bmcl.2006.08.066

  日期：2006.11

  Using SAR from two related series of pyrimidinetrione-based inhibitors, compounds with potent MMP-13 inhibition and > 100-fold selectivity against other MMPs have been identified. Despite high molecular weights, c log Ps, and polar surface areas, the compounds are generally well absorbed and have excellent pharmacokinetic (PK) properties when dosed as sodium salts. In a rat fibrosis model, a compound from the series displayed no fibrosis at exposures many fold greater than its MMP-13 IC50. (c) 2006 Elsevier Ltd. All rights reserved.
• EP4180432A1
  申请人：——

  公开号：——

  公开（公告）日：——