β-(2-hydroxy-4-methoxybenzoyl)propionic acid methyl ester | 42907-96-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: β-(2-hydroxy-4-methoxybenzoyl)propionic acid methyl ester
• 英文别名: Methyl 4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoate
• CAS: 42907-96-0
• 化学式: C₁₂H₁₄O₅
• 分子量: 238.24
• InChiKey: LMHJRNRUTDNSHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  β-(2-hydroxy-4-methoxybenzoyl)propionic acid methyl ester 在 sodium acetate 、 一水合肼 作用下， 以 甲醇 为溶剂， 反应 2.5h， 以150 mg的产率得到6-(2-hydroxy-4-methoxyphenyl)-2,3,4,5-tetrahydropyridazin-3-one
  参考文献：
  名称：

  Khan; Khan; Javed, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 12, p. 1101 - 1106

  摘要：

  DOI：
• 作为产物：
  描述：

  间苯二甲醚 在 三氯化铝 、 硫酸 作用下， 生成 β-(2-hydroxy-4-methoxybenzoyl)propionic acid methyl ester
  参考文献：
  名称：

  Perkin; Robinson, Journal of the Chemical Society, 1908, vol. 93, p. 513

  摘要：

  DOI：

文献信息

• BORON-CONTAINING SMALL MOLECULES
  申请人：Xia Yi

  公开号：US20100256092A1

  公开（公告）日：2010-10-07

  This invention relates to, among other items, 6-substituted benzoxaborole compounds and their use for treating bacterial infections.

  这项发明涉及6-取代苯硼酯化合物等物品，以及它们用于治疗细菌感染的用途。
• Scytalone (3,6,8-Trihydroxytetralone), a Metabolite from a <i>Scytalidium</i> Species
  作者：J. A. Findlay、D. Kwan

  DOI：10.1139/v73-242

  日期：1973.5.15

  A metabolite from culture filtrates of a Scytalidium strain is shown by spectroscopic and chemical means to have structure 1a. The oxygenation pattern is as anticipated from a polyketide precursor.

  一种来自Scytalidium菌株培养滤液的代谢产物通过光谱和化学手段被证明具有1a结构。氧化模式符合多酮前体的预期。
• 1,4-bis-(2,4-dihydroxyphenyl)butanedione from Gnetum ula?
  作者：Mohammad S.Y. Khan、M.Hasnain Khan、K. Javed、Sushma Darabu

  DOI：10.1016/0031-9422(91)85305-j

  日期：1991.1

  Abstract On the basis of the present synthesis of 1,4-bis-(2,4-dihydroxyphenyl)butanedione and its non-identity with that isolated from Gnetum ula, its occurrence in this plant is doubtful.

  摘要 根据目前合成的1,4-双-(2,4-二羟基苯基)丁二酮及其与从Gnetum ula中分离的非同一性，其在该植物中的存在值得怀疑。
• Design and synthesis of 4-aryl-4-oxobutanoic acid amides as calpain inhibitors
  作者：Yong Zhang、Seo Yoon Jung、Changbae Jin、Nam Doo Kim、Ping Gong、Yong Sup Lee

  DOI：10.1016/j.bmcl.2008.11.030

  日期：2009.1

  The involvement of mu-calpain in neurological disorders, such as stroke and Alzheimer's disease has attracted considerable interest in the use of calpain inhibitors as therapeutic agents. 4-Aryl-4-oxobutanoic acid amide derivatives 4 were designed as acyclic variants of mu-calpain inhibitory chromone and quinolinone derivatives. Of the compounds synthesized, 4c-2, which possesses a 2-methoxymethoxy group at the phenyl ring and a primary amide at the warhead region most potently inhibited mu-calpain (IC50 = 0.34 mu M). Our findings suggest that the 4-aryl-4-oxobutanoic acid amide derivatives should be considered as a new family of mu-calpain inhibitors. (C) 2008 Elsevier Ltd. All rights reserved.
• Perkin, Journal of the Chemical Society, 1902, vol. 81, p. 221,224, 229
  作者：Perkin

  DOI：——

  日期：——