2-bromo-1-[4-(1,3-oxazol-5-yl)phenyl]-1-ethanone | 938460-71-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-1-[4-(1,3-oxazol-5-yl)phenyl]-1-ethanone
• 英文别名: 2-Bromo-1-[4-(1,3-oxazol-5-yl)phenyl]-1-ethanone；2-bromo-1-[4-(1,3-oxazol-5-yl)phenyl]ethanone
• CAS: 938460-71-0
• 化学式: C₁₁H₈BrNO₂
• 分子量: 266.094
• InChiKey: HEYZFEYICGZFBY-UHFFFAOYSA-N

物化性质

• 沸点：
  375.8±22.0 °C(Predicted)
• 密度：
  1.516±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  3
• 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：

  2-bromo-1-[4-(1,3-oxazol-5-yl)phenyl]-1-ethanone 在 N-溴代丁二酰亚胺(NBS) 、 硫酸 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 正丁醇 为溶剂， 反应 80.33h， 生成 C₁₉H₁₈BrN₃O₃S
  参考文献：
  名称：

  WO2020051424A5

  摘要：

  公开号：

  WO2020051424A5
• 作为产物：
  描述：

  4-溴苯乙酮 在 三氟甲磺酸三甲基硅酯 、 四丁基醋酸铵 、 palladium diacetate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基乙酰胺 为溶剂， 反应 68.0h， 生成 2-bromo-1-[4-(1,3-oxazol-5-yl)phenyl]-1-ethanone
  参考文献：
  名称：

  WO2020051424A5

  摘要：

  公开号：

  WO2020051424A5

文献信息

• 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。
• Synthetic molecules for disruption of the MYC protein-protein interface
  作者：Nicholas T. Jacob、Pedro O. Miranda、Ryan J. Shirey、Ritika Gautam、Bin Zhou、M. Elena de Orbe Izquierdo、Mark S. Hixon、Jonathan R. Hart、Lynn Ueno、Peter K. Vogt、Kim D. Janda

  DOI：10.1016/j.bmc.2018.07.019

  日期：2018.8

  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.
• 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
• IMPROVED COMPOUNDS FOR MYC INHIBITION
  申请人：The Scripps Research Institute

  公开号：EP3820847B1

  公开（公告）日：2022-12-14