1,2,3,4,5,6,7,8-octahydroxy-9,10-anthraquinone | 169132-62-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1,2,3,4,5,6,7,8-octahydroxy-9,10-anthraquinone
• 英文别名: octahydroxyanthraquinone；1,2,3,4,5,6,7,8-octahydroxy-anthraquinone；1,2,3,4,5,6,7,8-octahydroxyanthracene-9,10-dione
• CAS: 169132-62-1
• 化学式: C₁₄H₈O₁₀
• 分子量: 336.212
• InChiKey: KOWBNNJAGJIIJW-UHFFFAOYSA-N

物化性质

• 沸点：
  602.2±50.0 °C(Predicted)
• 密度：
  2.294±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  196
• 氢给体数：
  8
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1,2,3,4,5,6,7,8-octahydroxy-9,10-anthraquinone 、 4'-(10-bromodecyloxy)biphenyl-4-carbonitrile 在 caesium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 4-[4-[10-[2,3,4,5,6,7,8-Heptakis[10-[4-(4-cyanophenyl)phenoxy]decoxy]-9,10-dioxoanthracen-1-yl]oxydecoxy]phenyl]benzonitrile
  参考文献：
  名称：

  Microwave-assisted synthesis of novel oligomeric rod-disc hybrids

  摘要：

  Microwave-assisted syntheses of five new oligomeric liquid crystals (LC) are reported for the first time consisting of rufigallol-based core attached to which 8-cyanobiphenyl units via flexible alkyl spacers. The synthesis of the target compounds was challenging since classical reactions failed to produce these hybrids. Chemical structures of these hybrids were determined by H-1 NMR, C-13 NMR, IR, UV spectroscopy and elemental analysis. The thermotropic liquid crystalline properties of these new compounds were investigated by polarizing optical microscopy (POM), differential scanning calorimetry (DSC) and X-ray diffractometry (XRD). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.058
• 作为产物：
  描述：

  六羟基蒽醌 在 硫酸 、 硼酸 、 mercury(II) oxide 作用下， 反应 2.0h， 生成 1,2,3,4,5,6,7,8-octahydroxy-9,10-anthraquinone
  参考文献：
  名称：

  Microwave-assisted synthesis of novel oligomeric rod-disc hybrids

  摘要：

  Microwave-assisted syntheses of five new oligomeric liquid crystals (LC) are reported for the first time consisting of rufigallol-based core attached to which 8-cyanobiphenyl units via flexible alkyl spacers. The synthesis of the target compounds was challenging since classical reactions failed to produce these hybrids. Chemical structures of these hybrids were determined by H-1 NMR, C-13 NMR, IR, UV spectroscopy and elemental analysis. The thermotropic liquid crystalline properties of these new compounds were investigated by polarizing optical microscopy (POM), differential scanning calorimetry (DSC) and X-ray diffractometry (XRD). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.058

文献信息

• Use of quinones in the treatment of cancer or AIDS
  申请人：RADOPATH LIMITED

  公开号：EP0499467A2

  公开（公告）日：1992-08-19

  The invention relates to a pharmaceutical composition comprising at least one quinone and to its use in the treatment of disease, especially cancer and virus infections. The composition of the invention comprises at least one quinone dissolved or dispersed in a liquid diluent or carrier at a concentration of about 103 moles/litre or below, preferably down to 1018 moles/litre. In the composition the at least one quinone is preferably: An anthraquinone glycoside, more preferably carminic acid. A compound of the formula : wherein R1 is hydrogen, a sugar e.g. -C6H11O5, hydroxy, in which R5 is - CH2NHAc, - CH20H, - CH(NH2)C02H or -CH2NH2; R2 is methyl or -C02H ; R3 is hydrogen, -NH2 or - SO3X in which X is H, Na or K; and R4 is hydrogen or hydroxy. Quinhydrone of the formula : Tetrahydroxyquinone of the formula :

  本发明涉及一种包含至少一种醌的药物组合物及其在治疗疾病，特别是癌症和病毒感染中的用途。 本发明的组合物包含至少一种溶解或分散在液体稀释剂或载体中的醌，浓度约为 103 摩尔/升或更低，最好低至 1018 摩尔/升。 在组合物中，至少一种醌最好是： 蒽醌苷，更优选卡米酸。 式......的化合物： 其中 R1 是氢、糖如-C6H11O5、羟基、 其中 R5 是-CH2NHAc、-CH20H、-CH(NH2)C02H 或-CH2NH2；R2 是甲基或-C02H；R3 是氢、-NH2 或-SO3X，其中 X 是 H、Na 或 K；R4 是氢或羟基。式中的......四氢酮 式中的四羟基醌
• ANTHRAQUINONES AND ANALOGS FROM RHUEM PALMATUM FOR TREATMENT OF ESTROGEN RECEPTOR BETA-MEDIATED CONDITIONS
  申请人：Bionovo, Inc.

  公开号：EP2303249A2

  公开（公告）日：2011-04-06
• Anthraquinones and Analogs from Rhuem palmatum for Treatment of Estrogen Receptor Beta-Mediated Conditions
  申请人：Cohen Isaac

  公开号：US20090312437A1

  公开（公告）日：2009-12-17

  Compositions derived from Rheum palmatum are provided. Also provided are methods of using said extracts to induce apoptosis in specific cells, especially in a human. Provided as well are uses of the extracts of Rheum palmatum for the preparation of a medicament for the selective induction of apoptosis
• [EN] USE OF QUINONES IN THE TREATMENT OF CANCER OR AIDS
  申请人：——

  公开号：WO1992014454A1

  公开（公告）日：1992-09-03

  [FR] L'invention a trait à une composition pharmaceutique comprenant au moins une quinone, ainsi qu'à son utilisation pour le traitement des maladies, en particulier du cancer et des infections à virus. La composition qui constitue l'invention comprend au moins une quinone en solution ou dispersion dans un diluant ou milieu liquide à une concentration d'environ 10-3 moles/litre ou moins, de préférence 10-18 moles/litre. Dans la composition la quinone présente, au minimum au nombre d'une, est, de préférence un glycoside d'anthraquinone et, idéalement, de l'acide carminique. Un composé de la formule (I) où R1 représente hydrogène, un sucre tel que -C6H11O5, hydroxy dans lequel R5 représente -CH2NHAc, -CH2OH, -CH(NH2)CO2H ou -CH2NH2; R2 représente méthyle ou -CO2H; R3 représente hydrogène, -NH2 ou SO3X dans lequel X est H, Na ou K; et R4 représente hydrogène ou hydroxy. Quinhydrone de la formule (II); tetrahydroxyquinone de la formule (III).
  [EN] The invention relates to a pharmaceutical composition comprising at least one quinone and to its use in the treatment of disease, especially cancer and virus infections. The composition of the invention comprises at least one quinone dissolved or dispersed in a liquid diluent or carrier at a concentration of about 10?-3 moles/litre or below, preferably down to 10?-18 moles/litre. In the composition the at least one quinone is preferably: an anthraquinone glycoside, more preferably carminic acid. A compound of formula (I) wherein R1? is hydrogen, a sugar e.g. -C6?H11?O5?, hydroxy, (a) in which R5? is -CH2?NHAc, -CH2?OH, -CH(NH2?)CO2?H or -CH2?NH2?; R2? is methyl or -CO2?H; R3? is hydrogen, -NH2? or -SO3?X in which X is H, Na or K; and R4? is hydrogen or hydroxy. Quinhydrone of formula (II); tetrahydroxyquinone of formula (III).
• [EN] PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF INFECTIOUS DISEASES<br/>[FR] COMPOSITIONS PHARMACEUTIQUES DESTINEES AU TRAITEMENT DE MALADIES INFECTIEUSES
  申请人：——

  公开号：WO1997007790A1

  公开（公告）日：1997-03-06

  [EN] The synergistic combination of certain bridged diphenyl compounds with oxidant agents for the treatment of infectious diseases is disclosed. These diphenyl compounds are exemplified by 2,3,4,3',4',5'-hexahydroxybenzophenone.
  [FR] On décrit la combinaison synergétique de certains composés diphényle pontés et d'agents oxydants destinée à traiter des maladies infectieuses. Ces composés diphényle sont représentés par exemple par 2,3,4,3',4',5'-hexahydroxybenzophénone.