1-[4-(1,3-oxazol-5-yl)phenyl]-1-ethanone | 252561-45-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[4-(1,3-oxazol-5-yl)phenyl]-1-ethanone
• 英文别名: 1-[4-(5-Oxazolyl)phenyl]ethanone；1-[4-(1,3-oxazol-5-yl)phenyl]ethanone
• CAS: 252561-45-8
• 化学式: C₁₁H₉NO₂
• 分子量: 187.198
• InChiKey: AGHWGPKGIWWOOR-UHFFFAOYSA-N

物化性质

• 沸点：
  330.1±17.0 °C(Predicted)
• 密度：
  1.153±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 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-[4-(1,3-oxazol-5-yl)phenyl]-1-ethanone 在 三甲基溴硅烷 、 三乙胺 、 N-溴代丁二酰亚胺(NBS) 作用下， 以 二氯甲烷 、 四氢呋喃 为溶剂， 反应 0.5h， 生成 2-bromo-1-[4-(1,3-oxazol-5-yl)phenyl]-1-ethanone
  参考文献：
  名称：

  DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION

  摘要：

  公开号：

  EP1956013B1
• 作为产物：
  描述：

  4-乙酰苯甲醛 、 1-(异氰基甲基磺酰基)-4-甲基苯 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 以630 mg的产率得到1-[4-(1,3-oxazol-5-yl)phenyl]-1-ethanone
  参考文献：
  名称：

  Synthetic molecules for disruption of the MYC protein-protein interface

  摘要：

  MYC is a key transcriptional regulator involved in cellular proliferation and has established roles in transcriptional elongation and initiation, microRNA regulation, apoptosis, and pluripotency. Despite this prevalence, functional chemical probes of MYC function at the protein level have been limited. Previously, we discovered 5a, that binds to MYC with potency and specificity, downregulates the transcriptional activities of MYC and shows efficacy in vivo. However, this scaffold posed intrinsic pharmacokinetic liabilities, namely, poor solubility that precluded biophysical interrogation. Here, we developed a screening platform based on field-effect transistor analysis (Bio-FET), surface plasmon resonance (SPR), and a microtumor formation assay to analyze a series of new compounds aimed at improving these properties. This blind SAR campaign has produced a new lead compound of significantly increased in vivo stability and solubility for a 40-fold increase in exposure. This probe represents a significant advancement that will not only enable biophysical characterization of this interaction and further SAR, but also contribute to advances in understanding of MYC biology.

  DOI：

  10.1016/j.bmc.2018.07.019

文献信息

• Sulfonylbenzene compounds as anti-inflammatory/analgesic agents
  申请人：——

  公开号：US20030225064A1

  公开（公告）日：2003-12-04

  This invention provides a compound of the formula: 1 or its pharmaceutically acceptable salt thereof, wherein A is partially unsaturated or unsaturated five membered heterocyclic, or partially unsaturated or unsaturated five membered carbocyclic, wherein the 4-(sulfonyl)phenyl and the 4-substituted phenyl in the formula (I) are attached to ring atoms of Ring A, which are adjacent to each other; R 1 is optionally substituted aryl or heteroaryl, with the proviso that when A is pyrazole, R 1 is heteroaryl; R 2 is C 1-4 alkyl, halo-substituted C 1-4 alkyl, C 1-4 alkylamino, C 1-4 dialkylamino or amino; R 3 , R 4 and R 5 are independently hydrogen, halo, C 1-4 alkyl, halo-substituted C 1-4 alkyl or the like; or two of R 3 , R 4 and R 5 are taken together with atoms to which they are attached and form a 4-7 membered ring; R 6 and R 7 are independently hydrogen, halo, C 1-4 alkyl, halo-substituted C 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkylthio, C 1-4 alkylamino or N,N-di C 1-4 alkylamino; and m and n are independently 1, 2, 3 or 4. This invention also provides a pharmaceutical composition useful for the treatment of a medical condition in which prostaglandins are implicated as pathogens.

  本发明提供了公式1的化合物或其药学上可接受的盐，其中A为部分不饱和或不饱和的五元杂环，或部分不饱和或不饱和的五元碳环，公式（I）中的4-（磺酰基）苯基和4-取代苯基连接到相邻的环A环原子上；R1为可选的取代芳基或杂芳基，但当A为吡唑时，R1为杂芳基；R2为C1-4烷基，卤代C1-4烷基，C1-4烷基氨基，C1-4双烷基氨基或氨基；R3、R4和R5独立地为氢、卤、C1-4烷基、卤代C1-4烷基或类似物，或者R3、R4和R5中的两个与它们连接的原子形成4-7成员环；R6和R7独立地为氢、卤、C1-4烷基、卤代C1-4烷基、C1-4烷氧基、C1-4烷基硫基、C1-4烷基氨基或N，N-双C1-4烷基氨基；m和n独立地为1、2、3或4。本发明还提供了一种用于治疗前列腺素作为病原体涉及的医疗状况的药物组合物。
• Compounds
  申请人：Alcaraz Lilian

  公开号：US20090298807A1

  公开（公告）日：2009-12-03

  The present invention relates to spirocyclic amide derivatives of the formula I, pharmaceutically acceptable salts thereof, a process for their preparation, pharmaceutical compositions containing them, and their use in therapy.

  本发明涉及公式 I 的螺环酰胺衍生物，其药学上可接受的盐，其制备方法，含有它们的制药组合物以及它们在治疗中的应用。
• Diagnostic and remedy for disease caused by amyloid aggregation and/or deposition
  申请人：Fujifilm Ri Pharma Co., Ltd.

  公开号：US08022075B2

  公开（公告）日：2011-09-20

  To provide a diagnostic drug which binds specifically to an amyloid aggregate and/or an amyloid deposit, to thereby realize imaging and quantification of a disease caused by amyloid aggregation and/or deposition. The invention provides a compound represented by formula (1): (wherein X1 represents an optionally substituted bicyclic heterocyclic group; X2 represents a hydrogen atom, a halogen atom, or a chelate-forming group; ring A represents a benzene ring or a pyridine ring; and ring B represents an optionally substituted 5-membered aromatic heterocyclic group which is bonded to the benzene ring or the pyridine ring via a carbon atom of ring B), a salt thereof, a solvate of any of these, or a transition metal coordination compound of any of these, and a diagnostic, preventive, or therapeutic drug containing the same.

  提供一种特异性结合到淀粉样聚集体和/或淀粉样沉积物的诊断性药物，从而实现淀粉样聚集和/或沉积引起的疾病的成像和定量。本发明提供了由式（1）表示的化合物：（其中X1代表可选取代的双环杂环基；X2代表氢原子，卤素原子或螯合形成基团；环A代表苯环或吡啶环；环B代表可选取代的5-成员芳香杂环基，通过环B的碳原子与苯环或吡啶环连接），其盐，任何这些的溶剂化合物或过渡金属配合物，以及含有该化合物的诊断性、预防性或治疗性药物。
• WO2020014144A5
  申请人：——

  公开号：WO2020014144A5

  公开（公告）日：2022-07-14
• DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION
  申请人：Fujifilm RI Pharma Co., Ltd.

  公开号：EP1956013B1

  公开（公告）日：2016-04-13