5-t-butyl-2,3-dihydrobenzoxazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑啉
• 英文名称: 5-t-butyl-2,3-dihydrobenzoxazole
• 英文别名: 5-Tert-butyl-2,3-dihydro-1,3-benzoxazole
• 化学式: C₁₁H₁₅NO
• 分子量: 177.246
• InChiKey: WFLYAJGWYJDXEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二氯乙酰氯 、 5-t-butyl-2,3-dihydrobenzoxazole 以 N,N-二甲基乙酰胺 为溶剂， 反应 2.0h， 以85%的产率得到N-dichloroacetyl-5-t-butyl-2,3-dihydrobenzoxazole
  参考文献：
  名称：

  Synthesis and biological activity of some novel N-dichloroacetyl-2,3-dihydrobenzoxazole derivatives

  摘要：

  A facile synthetic route was developed to N-dichloroacetyl-2,3-dihydrobenzoxazole derivatives 3 by cycloaddition of 2-amino-phenol (1) with dichloromethane and acylation of the resultant intermediate 2,3-dihydrobenzoxazole 2 with dichloroacetyl chloride. The structures of the compounds were characterized by IR, (1)H NMR, and (13)C NMR spectroscopy and elemental analysis. The preliminary biological tests showed that products 3 could protect maize against injury caused by acetochlor to some extent.

  DOI：

  10.1515/hc.2011.010
• 作为产物：
  描述：

  二氯甲烷 、 2-氨基-4-叔丁基酚 在 sodium hydroxide 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 1.0h， 以79%的产率得到5-t-butyl-2,3-dihydrobenzoxazole
  参考文献：
  名称：

  Synthesis and biological activity of some novel N-dichloroacetyl-2,3-dihydrobenzoxazole derivatives

  摘要：

  A facile synthetic route was developed to N-dichloroacetyl-2,3-dihydrobenzoxazole derivatives 3 by cycloaddition of 2-amino-phenol (1) with dichloromethane and acylation of the resultant intermediate 2,3-dihydrobenzoxazole 2 with dichloroacetyl chloride. The structures of the compounds were characterized by IR, (1)H NMR, and (13)C NMR spectroscopy and elemental analysis. The preliminary biological tests showed that products 3 could protect maize against injury caused by acetochlor to some extent.

  DOI：

  10.1515/hc.2011.010

文献信息

• CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES
  申请人：Blum Charles A.

  公开号：US20100008866A1

  公开（公告）日：2010-01-14

  Cis-cyclohexyl substituted pyrimidinone derivatives are provided, of the Formula: wherein variables are as described herein. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using such compounds to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  本文提供了Cis-环己基取代嘧啶酮衍生物，其化学式为：其中变量如本文所述。这些化合物是配体，可用于体内或体外调节特定受体的活性，并且在治疗与人类、家养伴侣动物和家畜动物的病理受体激活相关的情况方面特别有用。本文还提供了用于治疗此类疾病的制药组合物和方法，以及用于受体定位研究的配体的使用方法。
• TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS
  申请人：Coghlan Michael Joseph

  公开号：US20090149445A1

  公开（公告）日：2009-06-11

  The present invention relates to methods of treating pathological disorders susceptible to steroid hormone nuclear receptor modulation comprising administering to a patient in need thereof an effective amount of a compound of the formula: or a pharmaceutically acceptable salt thereof. In addition, the present invention provides novel pharmaceutical compounds of Formula I, including the pharmaceutically acceptable salts thereof, as well as pharmaceutical compositions which comprise as an active ingredient a compound of Formula I.

  本发明涉及治疗容易受到类固醇激素核受体调节的病理性疾病的方法，包括向需要治疗的患者施用化合物的有效量，该化合物的公式为：或其药学上可接受的盐。此外，本发明提供了公式I的新型药物化合物，包括其药学上可接受的盐，以及含有公式I化合物作为活性成分的药物组合物。
• Therapeutic compounds and uses thereof
  申请人：GENENTECH, INC.

  公开号：US11168070B2

  公开（公告）日：2021-11-09

  The present invention relates to compounds of formula (I) and formula (II): and to salts thereof, wherein R1-R4 of formula (I) and R5-R6 of formula (II) have any of the values defined herein, and compositions and uses thereof. The compounds are useful as inhibitors of CBP and/or EP300. Also included are pharmaceutical compositions comprising a compound of formula (I) of formula (II), or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various CBP and/or EP300-mediated disorders.

  本发明涉及式（I）和式（II）化合物： 及其盐，其中式(I)的 R1-R4 和式(II)的 R5-R6 具有本文定义的任一值，以及其组合物和用途。这些化合物可用作 CBP 和/或 EP300 的抑制剂。还包括包含式(I)的式(II)的化合物或其药学上可接受的盐的药物组合物，以及使用这种化合物和盐治疗各种CBP和/或EP300介导的疾病的方法。
• THERAPEUTIC COMPOUNDS AND USES THEREOF
  申请人：GENENTECH, INC.

  公开号：US20200399244A1

  公开（公告）日：2020-12-24

  The present invention relates to compounds of formula (I) and formula (II): and to salts thereof, wherein R—R 4 of formula (I) and R 5 -R 6 of formula (II) have any of the values defined herein, and compositions and uses thereof. The compounds are useful as inhibitors of CBP and/or EP300. Also included are pharmaceutical compositions comprising a compound of formula (I) of formula (II), or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various CBP and/or EP300-mediated disorders.
• US7411072B2
  申请人：——

  公开号：US7411072B2

  公开（公告）日：2008-08-12