3t-(9,10-dioxo-9,10-dihydro-[2]anthryl)-acrylic acid | 51541-71-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 3t-(9,10-dioxo-9,10-dihydro-[2]anthryl)-acrylic acid
• 英文别名: 3t-(9,10-Dioxo-9,10-dihydro-[2]anthryl)-acrylsaeure；(E)-3-(9,10-dioxoanthracen-2-yl)prop-2-enoic acid
• CAS: 51541-71-0
• 化学式: C₁₇H₁₀O₄
• 分子量: 278.264
• InChiKey: JEQYRJGQBPYKMS-SOFGYWHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3t-(9,10-dioxo-9,10-dihydro-[2]anthryl)-acrylic acid 在 sodium hydroxide 、 N,N-二甲基甲酰胺 、 锌 作用下， 生成 3-(anthracen-2-yl)acrylic acid
  参考文献：
  名称：

  Etienne et al., Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1959, vol. 249, p. 708

  摘要：

  DOI：
• 作为产物：
  描述：

  丙二酸 、 9,10-二氧代-9,10-二氢蒽-2-甲醛 在 吡啶 作用下， 生成 3t-(9,10-dioxo-9,10-dihydro-[2]anthryl)-acrylic acid
  参考文献：
  名称：

  Etienne et al., Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1959, vol. 249, p. 708

  摘要：

  DOI：

文献信息

• Hydroxamic acid inhibitors of 5-lipoxygenase: quantitative structure-activity relationships
  作者：James B. Summers、Ki H. Kim、Hormoz Mazdiyasni、James H. Holms、James D. Ratajczyk、Andrew O. Stewart、Richard D. Dyer、George W. Carter

  DOI：10.1021/jm00165a017

  日期：1990.3

  An evaluation of the quantitative structure-activity relationships (QSAR) for more than 100 hydroxamic acids revealed that the primary physicochemical feature influencing the in vitro 5-lipoxygenase inhibitory potencies of these compounds is the hydrophobicity of the molecule. A significant correlation was observed between the octanol-water partition coefficient of the substituent attached to the carbonyl of the hydroxamate and in vitro inhibitory activity. This correlation held for hydroxamic acids of diverse structure and with potencies spanning 4 orders of magnitude. Although the hydrophobicity may be packaged in a variety of structural ways and still correlate with potency, the QSAR study revealed two major exceptions. Specifically, the hydrophobicity of portions of compounds in the immediate vicinity of the hydroxamic acid functionality does not appear to contribute to increased inhibition and the hydrophobicity of fragments beyond approximately 12 A from the hydroxamate do not influence potency. The QSAR study also demonstrated that inhibitory activity was enhanced when there was an alkyl group on the hydroxamate nitrogen, when electron-withdrawing substituents were present and when the hydroxamate was conjugated to an aromatic system. These observations provide a simple description of the lipoxygenase-hydroxamic acid binding site.
• Etienne et al., Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1959, vol. 249, p. 708
  作者：Etienne et al.

  DOI：——

  日期：——
• Phytogeographic relationships between neotropical and African-Madagascan pteridophytes
  作者：Robbin C. Moran、Alan R. Smith

  DOI：10.1007/bf02812704

  日期：2001.4

  Moran. R. C. (The New York Botanical Garden, Bronx, NY 10458-5126, U.S.A.) & A. R. Smith (University Herbarium, University of California, 1001 Valley Life Sciences Bldg. #2465, Berkeley, CA 94720-2465, U.S.A.). Phytogeographic relationships between neotropical and African-Madagascan pteridophytes. Brittonia 53: 304-351. 2001.-The purpose of this study is to determine the floristic affinities of pteridophytes between the Neotropics and Africa-Madagascar and examine how these affinities might have arisen. We present an annotated list that contains two kinds of affinities: 1) species in common between both regions (excluding pantropical species) and 2) species pairs (or clusters of species pairs) where one of the species (or infrageneric group) occurs in the Neotropics and the other in Africa and/or Madagascar. There are 114 examples on the list, of which 27 are same-species and 87 are species pairs or closely related taxa at some infrageneric level. About 13% of the African pteridoflora and 14% of the Madagascan pteridoflora show affinities with the Neotropics. To determine how these similarities might have originated, we assess three hypotheses: 1) the boreotropics hypothesis, 2) continental drift, and 3) long-distance dispersal. The boreotropics hypothesis is difficult to assess without further phylogenetic information on the groups to which the species belong. Continental drift seems to best explain one example in the geologically old family Schizaeaceae (species in Anemia subgen. Coptophyllum sect. Tomentosae). Nearly all the other examples seem best explained by long-distance dispersal because they belong to families that first appeared during the Paleocene, more than 30 million years after drift had effectively separated South America and Africa. Most of the dispersal events appear to have taken place from the Neotropics to Africa-Madagascar but recent African extinctions may have obscured directionality. Species with green spores or gemmiferous gametophytes were slightly overrepresented on the list compared to pteridophytes as a whole.