3,4-dibromo-2-oxo-4-phenyl-butyric acid | 861310-73-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,4-dibromo-2-oxo-4-phenyl-butyric acid
• 英文别名: 3,4-Dibrom-2-oxo-4-phenyl-buttersaeure；Benzylidenbrenztraubensaeure-dibromid；β.γ-Dibrom-α-oxo-γ-phenyl-buttersaeure
• CAS: 861310-73-8
• 化学式: C₁₀H₈Br₂O₃
• 分子量: 335.98
• InChiKey: QIQDCHCLZSSVDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.54
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  54.37
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3,4-dibromo-2-oxo-4-phenyl-butyric acid 在 水 作用下， 反应 1.25h， 生成 4-bromo-3-hydroxy-5-phenylfuran-2(5H)-one
  参考文献：
  名称：

  Synthesis of some substituted furan-2(5H)-ones and derived quinoxalinones as potential anti-microbial and anti-cancer agents

  摘要：

  In search for novel anti-cancer and anti-microbial agents with promising pharmacotoxicological profile, the synthesis of some substituted 4-halofuran-2(5H)-ones (8a-l, 9, 11) and derived halogenated quinoxalin-2(1H)-ones (12a-d) is described. Some of the halogenated furanones were readily oxidized to the corresponding 2-bromo-2-propenoic acids (13a-c) with hydrogen peroxide in alkaline medium. Twenty-two compounds were preliminary tested for their in vitro activity against three bacteria and one fungus and revealed encouraging activity. On the other hand, three compounds were screened as anti-cancer agents using cell line panel protocol and 22 compounds were subjected to cycline-dependent kinases (CDKs) inhibition screening program but were inactive.

  DOI：

  10.1007/s00044-010-9394-2
• 作为产物：
  描述：

  benzylidenepyruvic acid sodium salt 在 硫酸 、 溴 作用下， 以 氯仿 、 水 为溶剂， 反应 2.0h， 生成 3,4-dibromo-2-oxo-4-phenyl-butyric acid
  参考文献：
  名称：

  Synthesis of some substituted furan-2(5H)-ones and derived quinoxalinones as potential anti-microbial and anti-cancer agents

  摘要：

  In search for novel anti-cancer and anti-microbial agents with promising pharmacotoxicological profile, the synthesis of some substituted 4-halofuran-2(5H)-ones (8a-l, 9, 11) and derived halogenated quinoxalin-2(1H)-ones (12a-d) is described. Some of the halogenated furanones were readily oxidized to the corresponding 2-bromo-2-propenoic acids (13a-c) with hydrogen peroxide in alkaline medium. Twenty-two compounds were preliminary tested for their in vitro activity against three bacteria and one fungus and revealed encouraging activity. On the other hand, three compounds were screened as anti-cancer agents using cell line panel protocol and 22 compounds were subjected to cycline-dependent kinases (CDKs) inhibition screening program but were inactive.

  DOI：

  10.1007/s00044-010-9394-2

文献信息

• Reimer, Journal of the American Chemical Society, 1926, vol. 48, p. 2460
  作者：Reimer

  DOI：——

  日期：——
• Giua, Gazzetta Chimica Italiana, 1919, vol. 49 II, p. 171
  作者：Giua

  DOI：——

  日期：——
• Bodforss, Justus Liebigs Annalen der Chemie, 1957, vol. 609, p. 103,117
  作者：Bodforss

  DOI：——

  日期：——
• The relations between musculoskeletal diseases and mobility among old people: are they influenced by socio-economic, psychosocial, and behavioral factors?
  作者：Kirsten Avlund、Merete Osler、Mogens Trab Damsgaard、Ulla Christensen、Marianne Schroll

  DOI：10.1207/s15327558ijbm0704_04

  日期：2000.12

  The aims of this study were (a) to analyse the association between musculoskeletal diseases and mobility cross-sectionally at age 75 and between musculoskeletal diseases and subsequent onset of tiredness and need of help to mobility from age 75 to 80 and (b) to describe whether these associations are influenced by socioeconomic, psychosocial, and behavioral factors. The data are derived from a cross-sectional study of 75-year-old people (n = 480) and a follow-up study among 111 persons without tiredness at baseline and 243 persons without need of help to mobility at baseline. The key predictor variable was musculoskeletal diseases. The outcome was measured by 2 mobility scales. Persons with both musculoskeletal and other diseases were at larger risk of tiredness and need of help cross-sectionally and of onset of need of help compared to others. In addition, physical activity had strong independent influence on mobility both cross-sectionally and longitudinally. Consequently prevention of mobility disability should focus on persons with musculoskeletal diseases and on sedentary persons.
• Musajo, Gazzetta Chimica Italiana, 1930, vol. 60, p. 673,677
  作者：Musajo

  DOI：——

  日期：——