5,6-Dimethylbenzoxazolon | 412307-87-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 5,6-Dimethylbenzoxazolon
• 英文别名: 5,6-dimethyl-3H-benzooxazol-2-one；5,6-dimethyl-3H-benzoxazol-2-one；5,6-Dimethyl-3H-benzoxazol-2-on；5,6-dimethyl-3H-benzooxazol-2-one；5,6-dimethyl-3H-1,3-benzoxazol-2-one
• CAS: 412307-87-0
• 化学式: C₉H₉NO₂
• 分子量: 163.176
• InChiKey: PBGNFASEMRNOAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  硫酸二乙酯 、 5,6-Dimethylbenzoxazolon 在 乙醇 、 sodium ethanolate 作用下， 生成 3-ethyl-5,6-dimethyl-3H-benzoxazol-2-one
  参考文献：
  名称：

  Close; Tiffany; Spielman, Journal of the American Chemical Society, 1949, vol. 71, p. 1265,1266

  摘要：

  DOI：
• 作为产物：
  描述：

  4-methyl-2-[(4-methylphenyl)azo]-phenol 在 sodium dithionite 、 水 、 potassium acetate 、 乙酸乙酯 作用下， 生成 5,6-Dimethylbenzoxazolon
  参考文献：
  名称：

  Close; Tiffany; Spielman, Journal of the American Chemical Society, 1949, vol. 71, p. 1265,1266

  摘要：

  DOI：

文献信息

• [EN] SUBSTITUTED EXO-METHYLENE-OXINDOLES WHICH ARE HPK1/MAP4K1 INHIBITORS<br/>[FR] EXO-MÉTHYLÈNE-OXINDOLES SUBSTITUÉS QUI SONT DES INHIBITEURS DE HPK1/MAP4K1
  申请人：GILEAD SCIENCES INC

  公开号：WO2020237025A1

  公开（公告）日：2020-11-26

  The present disclosure relates generally to certain ene-oxindole compounds, pharmaceutical compositions comprising thereof. Also disclosed are methods of making and using said compounds and pharmaceutical compositions. The compounds and compositions disclosed herein may be used for the treatment or prevention of diseases, disorders, or infections modifiable by hematopoietic progenitor kinase 1 (HPK1) inhibitors, such as HBV, HIV, cancer, and/or a hyper-proliferative disease.

  本公开涉及某些烯酮吲哚化合物，包括它们的制药组合物。还公开了制备和使用所述化合物和制药组合物的方法。本文所披露的化合物和组合物可用于治疗或预防可以通过造血祖细胞激酶1（HPK1）抑制剂进行调节的疾病、紊乱或感染，例如乙型肝炎病毒（HBV）、人类免疫缺陷病毒（HIV）、癌症和/或过度增殖性疾病。
• BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20150252034A1

  公开（公告）日：2015-09-10

  Disclosed are compounds of Formula A: Formula A, or a salt thereof, wherein “Het”, R a , and R b are defined herein, which have properties for blocking Na v 1.7 ion channels found in peripheral and sympathetic neurons. Also described are pharmaceutical formulations comprising the compounds of Formula A or their salts, and methods of treating neuropathic pain disorders using the same.

  本发明涉及A式化合物：A式，或其盐，其中“Het”，Ra和Rb的定义在此处，具有阻断外周和交感神经元中发现的Nav1.7离子通道的特性。还描述了包含A式化合物或其盐的药物制剂，以及使用它们治疗神经病理性疼痛障碍的方法。
• [EN] BLOOD COAGULATION FACTOR XIA INHIBITOR AND USES THEREOF<br/>[FR] INHIBITEUR DU FACTEUR XIA DE COAGULATION SANGUINE ET SES UTILISATIONS<br/>[ZH] 凝血因子XIa抑制剂及其用途
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2018133793A1

  公开（公告）日：2018-07-26

  提供了一类具有抑制凝血因子XIa和/或血浆激肽释放酶活性的大环化合物及其药物组合物；其中，所述大环化合物及其药物组合物可用于治疗或预防血栓栓塞性疾病。
• Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF)
  作者：Alissa A. Hare、Lin Leng、Sunilkumar Gandavadi、Xin Du、Zoe Cournia、Richard Bucala、William L. Jorgensen

  DOI：10.1016/j.bmcl.2010.07.129

  日期：2010.10

  The cytokine MIF is involved in inflammation and cell proliferation via pathways initiated by its binding to the transmembrane receptor CD74. MIF also exhibits keto-enol tautomerase activity, believed to be vestigial in mammals. Starting from a 1 mu M hit from virtual screening, substituted benzoxazol-2-ones have been discovered as antagonists with IC50 values as low as 7.5 nM in a tautomerase assay and 80 nM in a MIF-CD74 binding assay. Additional studies for one of the potent inhibitors demonstrated that it is not a covalent inhibitor of MIF and that it attenuates MIF-dependent ERK1/2 phosphorylation in human synovial fibroblasts. (C) 2010 Elsevier Ltd. All rights reserved.
• NAPHTHYRIDINE COMPOUNDS AND USES THEREOF
  申请人：Genentech, Inc.

  公开号：US20210277024A1

  公开（公告）日：2021-09-09

  Naphthyridine compounds of formula (I). variations thereof, and their use as inhibitors of HPK1 (hematopoietic kinase 1) are described. The compounds are useful in treating HPK1-dependent disorders and enhancing an immune response. Also described are methods of inhibiting HPK1, methods of treating HPK1-dependent disorders, methods for enhancing an immune response, and methods for preparing the naphthyridine compounds.