acetyl acetoacetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: acetyl acetoacetate
• 英文别名: acetyl 3-oxobutanoate
• 化学式: C₆H₈O₄
• 分子量: 144.127
• InChiKey: RYLHMXPGTMYTTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  acetyl acetoacetate 、 丙二腈 、 2,3,4-三甲氧基苯甲醛 在 4-二甲氨基吡啶 、 hydrazine hydrate 作用下， 反应 0.33h， 以79%的产率得到6-amino-3-methyl-4-(2,3,4-trimethoxy-phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
  参考文献：
  名称：

  Screening of a library of 4-aryl/heteroaryl-4H-fused pyrans for xanthine oxidase inhibition: synthesis, biological evaluation and docking studies

  摘要：

  A series of 4-aryl/heteroaryl-4H-fused pyrans was synthesized via multicomponent reaction in a microwave synthesizer. All the pyrans were evaluated for in vitro xanthine oxidase inhibition. Structure-activity relationship was also established. Among the series of 108 compounds, Compound 5n was the most potent displaying remarkable inhibition against the enzyme with an IC50 value of 0.59 mu M. Enzyme kinetic study was carried out for the compound 5n to determine the type of inhibition. The study revealed that the compound 5n was a mixed-type inhibitor. Molecular modelling studies were also performed to figure out the interactions of both the enantiomers of 5n with the amino acid residues of the enzyme.[GRAPHICS].

  DOI：

  10.1007/s00044-015-1382-0
• 作为产物：
  描述：

  双乙烯酮 、 溶剂黄146 生成 acetyl acetoacetate
  参考文献：
  名称：

  Yamanaka, Hiroshi; Shiraishi, Takayuki; Sakamoto, Takao, Chemical and pharmaceutical bulletin, 1981, vol. 29, # 4, p. 1049 - 1055

  摘要：

  DOI：

文献信息

• Photo stable organic sunscreen compositions
  申请人：EMD CHEMICALS, INC.

  公开号：US20040247536A1

  公开（公告）日：2004-12-09

  Photostable broad-spectrum organic sunscreen compositions comprising a UV-A sunscreen, such as Avobenzone, a photostabilizer, a UV-B liquid organic sunscreen, and a solubilizer and further enhancing the photostability by encapsulation using a sol-gel process.

  具有光稳定性的广谱有机防晒霜组合物包括UV-A防晒霜，如阿伏苯宗，光稳定剂，UV-B液体有机防晒霜，溶解剂，并通过溶胶-凝胶过程进行封装以进一步增强光稳定性。
• MODIFIED RELEASE FORMULATIONS OF A BUPROPION SALT
  申请人：OBEREGGER Werner

  公开号：US20080038348A1

  公开（公告）日：2008-02-14

  The present invention relates to pharmaceutical compositions, formulations and medicaments comprising a bupropion salt, in particular, modified-release tablets comprising an effective amount of bupropion hydrobromide, and the use of the bupropion salt to prepare a medicament to treat a condition.

  本发明涉及药物组合物、配方和药物，包括一种丁螺环酮盐，特别是包括有效量的丁螺环酮氢溴酸盐的缓释片剂，以及使用丁螺环酮盐来制备治疗疾病的药物。
• BUPROPION HYDROBROMIDE AND THERAPEUTIC APPLICATIONS
  申请人：WILLIAMS Parry Robert

  公开号：US20080075774A1

  公开（公告）日：2008-03-27

  Bupropion hydrobromide formulations as well as their use for the treatment of conditions is described.

  本文描述了Bupropion hydrobromide配方及其用于治疗疾病的使用。
• Modified release formulations of a bupropion salt
  申请人：Oberegger Werner

  公开号：US20070027213A1

  公开（公告）日：2007-02-01

  The present invention relates to pharmaceutical compositions, formulations and medicaments comprising a bupropion salt, in particular, modified-release tablets comprising an effective amount of bupropion hydrobromide, and the use of the bupropion salt to prepare a medicament to treat a condition.

  本发明涉及制药组合物、配方和药物，包括丁丙腈酮盐，特别是包含有效量的丁丙腈酮羟溴盐的改良释放片剂，以及使用丁丙腈酮盐制备治疗疾病的药物。
• Photostable organic sunscreen composition
  申请人：Chaudhuri Ratan

  公开号：US20070059258A1

  公开（公告）日：2007-03-15

  The present invention relates to a sunscreen capsule comprising i) at least one UV-A organic sunscreen and ii) at least one photostabilizer; furthermore it relates to a composition for topical application comprising these capsule and methods of production and use of these capsules and compositions.

  本发明涉及一种含有i) 至少一种UV-A有机防晒剂和ii) 至少一种光稳定剂的防晒胶囊；此外，本发明还涉及一种含有这些胶囊的局部应用组合物，以及这些胶囊和组合物的生产和使用方法。