1-(2-苯基噁唑-5-基)乙酮 | 191925-66-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-(2-苯基噁唑-5-基)乙酮
• 英文名称: 1-(2-phenyloxazol-5-yl)ethan-1-one
• 英文别名: 1-(2-phenyloxazol-5-yl)ethanone；1-(2-phenyl-1,3-oxazol-5-yl)ethanone
• CAS: 191925-66-3
• 化学式: C₁₁H₉NO₂
• 分子量: 187.198
• InChiKey: RXNJGAITOPHPKQ-UHFFFAOYSA-N

物化性质

• 沸点：
  327.2±34.0 °C(Predicted)
• 密度：
  1.153±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-苯基噁唑-5-基)乙酮 在 titanium(IV) tetraethanolate 、 二异丁基氢化铝 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲苯 为溶剂， 反应 4.0h， 生成 (R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide
  参考文献：
  名称：

  [EN] PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS
  [FR] COMPOSÉS PHARMACEUTIQUES POUR LE TRAITEMENT DE TROUBLES MÉDIÉS PAR LE COMPLÉMENT

  摘要：

  This disclosure provides compounds, compositions, and methods to treat medical disorders, such as complement-mediated disorders, including complement C1s-mediated disorders.

  公开号：

  WO2024035686A1
• 作为产物：
  描述：

  2-苯基噁唑-5-羧酸 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 4.0h， 生成 1-(2-苯基噁唑-5-基)乙酮
  参考文献：
  名称：

  [EN] PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS
  [FR] COMPOSÉS PHARMACEUTIQUES POUR LE TRAITEMENT DE TROUBLES MÉDIÉS PAR LE COMPLÉMENT

  摘要：

  This disclosure provides compounds, compositions, and methods to treat medical disorders, such as complement-mediated disorders, including complement C1s-mediated disorders.

  公开号：

  WO2024035686A1

文献信息

• [EN] IMIDAZOLES, OXAZOLES AND THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITIES<br/>[FR] IMIDAZOLES, OXAZOLES ET THIAZOLES PRESENTANT DES ACTIVITES D'INHIBITION DES PROTEINES KINASES
  申请人：VERTEX PHARMA

  公开号：WO2004005283A1

  公开（公告）日：2004-01-15

  The present invention provides compounds of formula I: (I) or a pharmaceutically acceptable derivative thereof, wherein R1, R2, A, G, and W are as described in the specification. These compounds are inhibitors of protein kinase, particularly inhibitors of JNK, a mammalian protein kinase involved cell proliferation, cell death and response to extracellular stimuli, Lck, Src, and Aurora kinases. The invention also relates to methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing those compositions in the treatment and prevention of various disorders.

  本发明提供了化合物I的公式：(I)或其药用可接受的衍生物，其中R1、R2、A、G和W如规范中所述。这些化合物是蛋白激酶的抑制剂，特别是JNK的抑制剂，JNK是一种参与细胞增殖、细胞死亡和对细胞外刺激反应的哺乳动物蛋白激酶，还有Lck、Src和Aurora激酶。该发明还涉及生产这些抑制剂的方法。该发明还提供包括该发明的抑制剂的药物组合物以及利用这些组合物在治疗和预防各种疾病中的方法。
• Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases
  申请人：——

  公开号：US20040097531A1

  公开（公告）日：2004-05-20

  The present invention provides compounds of formula I: 1 or a pharmaceutically acceptable derivative thereof, wherein R 1 , R 2 , A, G, and W are as described in the specification. These compounds are inhibitors of protein kinase, particularly inhibitors of JNK, a mammalian protein kinase involved cell proliferation, cell death and response to extracellular stimuli, Lck, Src, and Aurora kinases. The invention also relates to methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing those compositions in the treatment and prevention of various disorders.

  本发明提供了式 I 的化合物： 1 或其药学上可接受的衍生物，其中 R 1 , R 2 A、G 和 W 如说明书所述。这些化合物是蛋白激酶的抑制剂，特别是 JNK（一种哺乳动物蛋白激酶，参与细胞增殖、细胞死亡和对细胞外刺激的反应）、Lck、Src 和 Aurora 激酶的抑制剂。本发明还涉及生产这些抑制剂的方法。本发明还提供了包含本发明抑制剂的药物组合物，以及利用这些组合物治疗和预防各种疾病的方法。
• Competing Pathways in the Azomethine Ylide Route to Indoloquinones:  An Improved Procedure for the Generation of a Transient 4-Oxazoline from the Oxazolium Salt
  作者：Edwin Vedejs、Sean D. Monahan

  DOI：10.1021/jo9702195

  日期：1997.7.1

  Azomethine ylide generation from the oxazolium salt 22 and PhSiH3/CsF affords complex products derived from the initial cycloadduct 23 via three competing pathways. Colorless intermediates 24-27 have been detected, and their oxidation products 10, 28, and 29 have been identified. Nucleophilic activation of the oxazolium salt 22 is reported using the organic-soluble benzyltrimethylammonium cyanide. This variation affords the unstable cycloadduct 32, which undergoes aromatization via a single pathway involving 24 and 27, and DDQ oxidation gives the indoloquinone 10 in an improved 63% yield. Lower yields using PhSiH3/CsF or NaCN activation methods are attributed to the heterogeneous conditions and interception of the azomethine ylide by unreacted oxazolium salt.
• IMIDAZOLES, OXAZOLES AND THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITIES
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP1554269A1

  公开（公告）日：2005-07-20
• US7361665B2
  申请人：——

  公开号：US7361665B2

  公开（公告）日：2008-04-22