7-异氰酰基-2,3-二氢苯并[b]呋喃 | 96219-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 中文名称: 7-异氰酰基-2,3-二氢苯并[b]呋喃
• 中文别名: 7-异氰基-2,3-二氢苯并[B]呋喃
• 英文名称: 7-isocyanato-2,3-dihydrobenzofuran
• 英文别名: 7-Isocyanato-2,3-dihydrobenzo[b]furan；7-isocyanato-2,3-dihydro-1-benzofuran
• CAS: 96219-40-8
• 化学式: C₉H₇NO₂
• mdl: MFCD11109310
• 分子量: 161.16
• InChiKey: SOJVUJUSOBTJEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-异氰酰基-2,3-二氢苯并[b]呋喃 在 lead(IV) tetraacetate 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 0.5h， 生成 3-(benzyloxy)-6,7-dihydro-1H-benzofuro[7,6-d]imidazol-2(3H)-one
  参考文献：
  名称：

  Synthesis and SAR of 1-Hydroxy-1H-benzo[d]imidazol-2(3H)-ones as Inhibitors of d-Amino Acid Oxidase

  摘要：

  A series of 1-hydroxy-1H-benzo[d]imidazol-2(3H)-ones were synthesized and evaluated for their ability to inhibit human and porcine forms of D-amino acid oxidase (DAAO). The inhibitory potency is largely dependent on the size and position of substituents on the benzene ring with IC50 values of the compounds ranging from 70 nM to greater than 100 mu M. Structure-activity relationships of this new class of DAAO inhibitors will be presented in detail along with comparisons to previously published SAR data from other classes of DAAO inhibitors. Two of these compounds were given to mice orally together with D-serine to assess their effects on plasma D-serine pharmacokinetics.

  DOI：

  10.1021/ml300212a

文献信息

• Sulfonylureas and related compounds and use of same
  申请人：THE UNIVERSITY OF QUEENSLAND

  公开号：US11130731B2

  公开（公告）日：2021-09-28

  The present invention provides for certain sulfonyl ureas and related compounds which have advantageous properties and show useful activity in the inhibition of activation of the NLRP3 inflammasome. Such compounds are useful in the treatment of a wide range of disorders in which the inflammation process, or more specifically the NLRP3 inflammasome, have been implicated as being a key factor.

  本发明提供了某些磺酰脲类及相关化合物，它们在抑制 NLRP3 炎性体活化方面具有优势特性并显示出有用的活性。此类化合物可用于治疗多种疾病，在这些疾病中，炎症过程或更具体地说是 NLRP3 炎症体被认为是一个关键因素。
• SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME
  申请人：The University Of Queensland

  公开号：EP3259253A1

  公开（公告）日：2017-12-27
• [EN] SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME<br/>[FR] SULFONYLURÉES, COMPOSÉS APPARENTÉS, ET LEUR UTILISATION
  申请人：UNIV QUEENSLAND

  公开号：WO2016131098A1

  公开（公告）日：2016-08-25

  ABSTRACT The present invention provides for certain sulfonyl ureas and related compounds which have advantageous properties and show useful activity in the inhibition of activation of the NLRP3 inflammasome. Such compounds are useful in the treatment of a wide range of disorders in which the inflammation process, or more specifically the NLRP3 inflammasome, have been implicated as being a key factor.
• Synthesis and SAR of 1-Hydroxy-1<i>H</i>-benzo[<i>d</i>]imidazol-2(3<i>H</i>)-ones as Inhibitors of <scp>d</scp>-Amino Acid Oxidase
  作者：James F. Berry、Dana V. Ferraris、Bridget Duvall、Niyada Hin、Rana Rais、Jesse Alt、Ajit G. Thomas、Camilo Rojas、Kenji Hashimoto、Barbara S. Slusher、Takashi Tsukamoto

  DOI：10.1021/ml300212a

  日期：2012.10.11

  A series of 1-hydroxy-1H-benzo[d]imidazol-2(3H)-ones were synthesized and evaluated for their ability to inhibit human and porcine forms of D-amino acid oxidase (DAAO). The inhibitory potency is largely dependent on the size and position of substituents on the benzene ring with IC50 values of the compounds ranging from 70 nM to greater than 100 mu M. Structure-activity relationships of this new class of DAAO inhibitors will be presented in detail along with comparisons to previously published SAR data from other classes of DAAO inhibitors. Two of these compounds were given to mice orally together with D-serine to assess their effects on plasma D-serine pharmacokinetics.