6-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxaazine-7-sulfonyl chloride | 868964-05-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 6-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxaazine-7-sulfonyl chloride
• 英文别名: 6-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonyl chloride；6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzooxaazine-7-sulfonyl chloride；6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl chloride；6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonyl chloride
• CAS: 868964-05-0
• 化学式: C₉H₈ClNO₄S
• 分子量: 261.686
• InChiKey: FBJMHTYNTPHUFM-UHFFFAOYSA-N

物化性质

• 沸点：
  462.9±45.0 °C(Predicted)
• 密度：
  1.514±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  80.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxaazine-7-sulfonyl chloride 、 3-氨基-4-氯三氟甲苯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
  参考文献：
  名称：

  发现了新型的基于联芳基磺酰胺的Mcl-1抑制剂。

  摘要：

  Mcl-1是在血液系统恶性肿瘤和几种人类实体瘤中过表达的抗凋亡蛋白。Mcl-1的小分子抑制将为Mcl-1介导的耐药性提供有效的治疗方法。随后，它已成为制药行业广泛研究的目标。首先描述了从高通量筛选中获得的简单的联芳基磺酰胺命中，发现了新型的Mcl-1小分子抑制剂。SBDD辅助的药物化学作用产生了能够在体外破坏Mcl-1 / Bid蛋白质-蛋白质相互作用的化合物。Mcl-1结合的配体的晶体结构代表与BH3结合袋的独特结合模式，其中部分通过磺酰胺氧/ Arg263相互作用获得结合亲和力。这项工作强调了为Bcl-2类蛋白质设计有效的蛋白质-蛋白质抑制剂时面临的一些关键挑战。

  DOI：

  10.1016/j.bmcl.2019.06.008

文献信息

• [EN] PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY<br/>[FR] DÉRIVÉS DE PYRROLIDINE, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT, ET LEUR UTILISATION EN THÉRAPIE
  申请人：ABBVIE DEUTSCHLAND

  公开号：WO2014140310A1

  公开（公告）日：2014-09-18

  The present invention relates to pyrrolidine derivatives of formula (I), or a physiologically tolerated salt thereof. The invention relates to pharmaceutical compositions comprising such pyrrolidine derivatives, and the use of such pyrrolidine derivatives for therapeutic purposes. The pyrrolidine derivatives are GlyT1 inhibitors.

  本发明涉及式(I)的吡咯烷衍生物，或其生理耐受盐。该发明涉及包含此类吡咯烷衍生物的药物组合物，以及利用此类吡咯烷衍生物进行治疗的用途。这些吡咯烷衍生物是GlyT1抑制剂。
• Curable composition including epoxy resin and curable solid filler
  申请人：3M INNOVATIVE PROPERTIES COMPANY

  公开号：US11078358B2

  公开（公告）日：2021-08-03

  The present disclosure provides a curable composition. The curable composition includes a liquid epoxy resin component a curative component, and a curable resin filler component. At least a portion of curable resin filler is dispersed in the liquid epoxy resin and solid at about 25° C. According to various examples, the curable composition can produce a film having good tackiness and improved handling characteristics. Additionally, according to some examples, a cured product of the curable composition can have a Wet Glass Transition Temperature and a Dry Glass Transition Temperature that are substantially the same.

  本公开提供了一种可固化组合物。固化组合物包括液态环氧树脂组分、固化剂组分和固化树脂填料组分。至少有一部分可固化树脂填料分散在液态环氧树脂中，并在约 25°C 时固化。根据不同的实例，该可固化组合物可以生产出具有良好粘性和更佳处理特性的薄膜。此外，根据某些实例，可固化组合物的固化产物的湿玻璃转化温度和干玻璃转化温度基本相同。
• 2-Oxo-N-aryl-1,2,3,4-tetrahydroquinoline-6-sulfonamides as activators of the tumor cell specific M2 isoform of pyruvate kinase
  作者：Martin J. Walsh、Kyle R. Brimacombe、Henrike Veith、James M. Bougie、Thomas Daniel、William Leister、Lewis C. Cantley、William J. Israelsen、Matthew G. Vander Heiden、Min Shen、Douglas S. Auld、Craig J. Thomas、Matthew B. Boxer

  DOI：10.1016/j.bmcl.2011.08.114

  日期：2011.11

  Compared to normal differentiated cells, cancer cells have altered metabolic regulation to support biosynthesis and the expression of the M2 isozyme of pyruvate kinase (PKM2) plays an important role in this anabolic metabolism. While the M1 isoform is a highly active enzyme, the alternatively spliced M2 variant is considerably less active and expressed in tumors. While the exact mechanism by which decreased pyruvate kinase activity contributes to anabolic metabolism remains unclear, it is hypothesized that activation of PKM2 to levels seen with PKM1 may promote a metabolic program that is not conducive to cell proliferation. Here we report the third chemotype in a series of PKM2 activators based on the 2-oxo-N-aryl-1,2,3,4-tetrahydroquinoline-6-sulfonamide scaffold. The synthesis, structure activity relationships, selectivity and notable physiochemical properties are described. Published by Elsevier Ltd.
• PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY
  申请人：AbbVie Deutschland GmbH & Co. KG

  公开号：EP2970215A1

  公开（公告）日：2016-01-20
• CURABLE COMPOSITION INCLUDING EPOXY RESIN AND CURABLE SOLID FILLER
  申请人：3M Innovative Properties Company

  公开号：EP3661990A1

  公开（公告）日：2020-06-10