环糊精 | 12619-70-4

• 物质功能分类: 生物化工 - 糖类化合物 - 寡糖
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 环糊精
• 英文名称: α-cyclodextrin
• 英文别名: α-cyclodextrine；Cyclohexaamylose；5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
• CAS: 12619-70-4
• 化学式: C₃₆H₆₀O₃₀
• 分子量: 972.854
• InChiKey: HFHDHCJBZVLPGP-UHFFFAOYSA-N

物化性质

• 物理描述：
  Hexagonal plates or blade-shaped needles. (NTP, 1992)
• 熔点：
  532 °F (decomposes) (NTP, 1992)

计算性质

• 辛醇/水分配系数(LogP)：
  -12.9
• 重原子数：
  66
• 可旋转键数：
  6
• 环数：
  22.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  475
• 氢给体数：
  18
• 氢受体数：
  30

反应信息

• 作为反应物：
  描述：

  、 环糊精 以 甲醇 、 水 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  Cyclodextrin type dependent host-guest interaction mode with phthalocyanine and their influence on photodynamic activity to cancer

  摘要：

  Three host-guest complexes of phthalocyanines (Pc) with alpha-, beta- or gamma-cyclodextrins (CDs) were prepared and their interaction modes, reactive oxygen species (ROSs) generation ability and in vitro anticancer activities were studied and compared. After forming complex with CD, the aggregation degree of Pc was greatly decreased and the water solubility and photodynamic activity was sharply increased. Computer modeling results indicated that the interaction modes between Pc and CDs were varied with different kinds of CD. Especially, the complex of Pc and beta-CD has superior stability, ROSs generation ability, and anticancer activity to other complexes. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carbpol.2016.04.062
• 作为试剂：
  描述：

  sodium 2,4,6-tribromophenolate 、 3-氯-2-甲基丙烯 在 环糊精 作用下， 以 乙醇 为溶剂， 以95.9 %的产率得到1,3,5-三溴-2-(2-甲基丙-2-烯氧基)苯
  参考文献：
  名称：

  CN115819194

  摘要：

  公开号：

文献信息

• Irreversible and reversible formation of a [2]rotaxane containing platinum(ii) complex with an N-alkyl bipyridinium ligand as the axis component
  作者：Yuji Suzaki、Toshiaki Taira、Kohtaro Osakada

  DOI：10.1039/b610087b

  日期：——

  An N-Alkyl bipyridinium having a polymethylene chain and a bulky aryl group at the end, [4,4′-bpy-N-(CH2)10OC6H3-3,5-tBu2]Cl ([1a]Cl), reacts with K[PtCl3(dmso)] to produce the Pt complex with the N-alkyl bipyridinium ligand [Cl2(dmso)Pt4,4′-bpy-N-(CH2)10OC6H3-3,5-tBu2}][PtCl3(dmso)] as a 6 : 1 mixture of trans and cis isomers ([trans-2a][PtCl3(dmso)] and [cis-2a][PtCl3(dmso)]). Addition of α-cyclodextrin (α-CD) to a solution of [1a]Cl in dmso-d6/D2O (3 : 1) forms [2]pseudorotaxane [4,4′-bpy-N-(CH2)10OC6H3-3,5-tBu2}·(α-CD)]Cl ([3a]Cl) which is equilibrated with [1a]Cl and α-CD in solution. The reaction of K[PtCl3(dmso)] with [3a]Cl affords the [2]rotaxane [trans-Cl2(dmso)Pt4,4′-bpy-N-(CH2)10OC6H3-3,5-tBu2}·(α-CD)][PtCl3(dmso)] ([trans-4a][PtCl3(dmso)]) which contains α-CD and [trans-2a][PtCl3(dmso)] as the cyclic and axis components, respectively. Dissolution of a mixture of [trans-2a][PtCl3(dmso)], [cis-2a][PtCl3(dmso)] and α-CD in dmso-d6/D2O (3 : 1) forms a mixture of the rotaxanes containing [trans-4a-d6][PtCl3(dmso)] and [cis-4a-d6][PtCl3(dmso)]. The reaction involves partial dissociation of the bipyridinium from Pt of [trans-2a][PtCl3(dmso)] or [cis-2a][PtCl3(dmso)] to yield [1a][PtCl3(dmso)] and formation of pseudorotaxane with α-CD, followed by recoordination of the bipyridinium to the Pt. The reversible formation of the Pt–N coordination bond is studied in a dmso solution of the N-butyl compounds [trans-Cl2(dmso)Pt4,4′-bpy-N-nBu}][PtCl3(dmso)] ([trans-2b][PtCl3(dmso)]).

  一种具有聚亚甲基链和末端庞大芳基的N-烷基联吡啶盐,[4,4'-联吡啶-N-(CH\(}_2}\))\(}_10}\)OC\(}_6}\)H\(}_3}\)-3,5-二叔丁基]Cl ([1a]Cl),与K[PtCl\(}_3}\)(dmso)]反应生成具有N-烷基联吡啶盐配体的Pt复合物,即[Cl\(}_2}\)(dmso)Pt4,4'-联吡啶-N-(CH\(}_2}\))\(}_10}\)OC\(}_6}\)H\(}_3}\)-3,5-二叔丁基}][PtCl\(}_3}\)(dmso)]作为反式和顺式异构体的6:1混合物([trans-2a][PtCl\(}_3}\)(dmso)]和[cis-2a][PtCl\(}_3}\)(dmso)]).将α-环糊精(α-CD)加入到dmso-d\(}_6}\)/D\(}_2}\)O(3:1)中的[1a]Cl溶液中,生成[2]伪轮烷[4,4'-联吡啶-N-(CH\(}_2}\))\(}_10}\)OC\(}_6}\)H\(}_3}\)-3,5-二叔丁基}·(α-CD)]Cl ([3a]Cl),其在溶液中与[1a]Cl和α-CD处于平衡状态.K[PtCl\(}_3}\)(dmso)]与[3a]Cl反应得到[2]轮烷[trans-Cl\(}_2}\)(dmso)Pt4,4'-联吡啶-N-(CH\(}_2}\))\(}_10}\)OC\(}_6}\)H\(}_3}\)-3,5-二叔丁基}·(α-CD)][PtCl\(}_3}\)(dmso)]([trans-4a][PtCl\(}_3}\)(dmso)]),其中α-CD和[trans-2a][PtCl\(}_3}\)(dmso)]分别为环状和轴向组分.将[trans-2a][PtCl\(}_3}\)(dmso)]、[cis-2a][PtCl\(}_3}\)(dmso)]和α-CD的混合物溶解在dmso-d\(}_6}\)/D\(}_2}\)O (3:1)中,形成含有[trans-4a-d\(}_6}\)][PtCl\(}_3}\)(dmso)]和[cis-4a-d\(}_6}\)][PtCl\(}_3}\)(dmso)]的轮烷混合物.该反应涉及从[trans-2a][PtCl\(}_3}\)(dmso)]或[cis-2a][PtCl\(}_3}\)(dmso)]中的Pt部分解离联吡啶盐,生成[1a][PtCl\(}_3}\)(dmso)]并与α-CD形成伪轮烷,随后联吡啶盐重新配位到Pt.Pt-N配位键的可逆形成在N-丁基化合物[trans-Cl\(}_2}\)(dmso)Pt4,4'-联吡啶-N-nBu}][PtCl\(}_3}\)(dmso)]([trans-2b][PtCl\(}_3}\)(dmso)])的dmso溶液中进行了研究.
• [EN] COMPOSITIONS COMPRISING A METAL SOURCE, DITHIOCARBAMATE AND CYCLODEXTRIN<br/>[FR] COMPOSITIONS COMPRENANT UNE SOURCE MÉTALLIQUE, UN DITHIOCARBAMATE ET UNE CYCLODEXTRINE
  申请人：DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OEFFENTLICHEN RECHTS

  公开号：WO2018069525A1

  公开（公告）日：2018-04-19

  The present invention provides a novel class of dithiocarbamate-metal complexes and their uses in medicine. Also provided by the invention are combinations and pharmaceutical compositions, comprising a dithiocarbamate (or thiuram disulphide) such as disulfiram and cyclodextrin, with a source of a heavy metal. Surprisingly, the inventors found a synergistic potentiation of the anti-tumor effect, when a dithiocarbamate/heavy metal mixture was combined with a cyclodextrin. The compounds and combination of the invention are particularly useful in the treatment of tumor diseases, and other disorders. Provided are the compounds, combination, pharmaceutical compositions and kits, as well as methods for the preparation of the combinations of the invention.

  本发明提供了一种新型的二硫代氨基甲酸盐金属络合物及其在医学中的用途。该发明还提供了一种组合物和药物组合物，包括二硫代氨基甲酸盐（或硫代硫酰二乙基）如二硫代硫酸铜和环糊精，以及一种重金属的来源。令人惊讶的是，发明人发现当将二硫代氨基甲酸盐/重金属混合物与环糊精结合时，抗肿瘤效果呈现协同增强作用。本发明的化合物和组合物在肿瘤疾病和其他疾病的治疗中特别有用。提供了本发明的化合物、组合物、药物组合物和试剂盒，以及制备本发明组合物的方法。
• Preparation of (η5-cyclopentadienyl) and (η5-methylcyclopentadienyl) Fe(CO)2 Me cyclodextrin inclusion compounds and their subsequent ligand substitution reactions. Attempts at cyclodextrin mediated enantioselective ligand substitution
  作者：Paren P Patel、Mark E Welker

  DOI：10.1016/s0022-328x(97)00181-2

  日期：1997.11

  Two iron complexes, (η5-Cyclopentadienyl)Fe(CO)2Me and (η5-Methylcyclopentadienyl)Fe(CO)2Me, were prepared followed by their α, β, and γ cyclodextrin inclusion compounds. The included iron complexes participate in phosphine induced ligand substitution reactions under both thermal and photochemical conditions with no CO insertion/alkyl migration products observed in either case.

  两个铁络合物，（η 5 -环戊二烯基）铁（CO）2我和（η 5 -Methylcyclopentadienyl）的Fe（CO）2 Me中，得到制备后，通过α，β，和γ环糊精包合的化合物。包括的铁络合物在热和光化学条件下均参与膦诱导的配体取代反应，在两种情况下均未观察到CO插入/烷基迁移产物。
• [EN] ARACHIDONIC ACID ANALOGS AND METHODS FOR ANALGESIC TREATMENT USING SAME<br/>[FR] ANALOGUES DE L'ACIDE ARACHIDONIQUE ET PROCÉDÉS POUR UN TRAITEMENT ANALGÉSIQUE L'UTILISANT
  申请人：CYTOMETIX INC

  公开号：WO2011066414A1

  公开（公告）日：2011-06-03

  The present invention provides arachidonic acid (AA) analogs and compositions containing those analogs as active agents for use in analgesic treatments. Various methods of r manufacturing the inventive compounds are provided and pharmaceutical formulations, including injectable and oral dosages, are described. The analogs are additionally useful as antipyretic compositions and in related fever reducing treatments.

  本发明提供了花生四烯酸（AA）类似物以及含有这些类似物作为活性剂的组合物，用于镇痛治疗。提供了制造创新化合物的各种方法，并描述了包括注射剂和口服剂量在内的药物配方。这些类似物还可用作退热组合物以及相关的降热治疗。
• Amphiphilic ferrocenylated alkylpyridinium: the formation of micelles and hydrogels and their disaggregation induced by an external stimulus
  作者：Yuji Suzaki、Hirotaka Endo、Takahiro Kojima、Kohtaro Osakada

  DOI：10.1039/c3dt51597d

  日期：——

  depended on the concentrations. The addition of an oxidant, NaOCl, to the aqueous solution of the micelles of 1b turned ferrocene to ferrocenium and caused the disaggregation of the micelles. The addition of α-cyclodextrin (α-CD) to 2b caused the disaggregation of the micelle and the formation of water-soluble [2]- and [3]pseudorotaxane [py-N-(CH2)8OCH2Fc}(α-CD)m]Cl (1b(α-CD)m) (m = 1, 2), while mixing

  含二茂铁的两亲物[py- N-（CH 2）n OCH 2 Fc] Cl（n = 6（1a），8（1b），10（1c）; py = C 5 H 5 N，Fc = Fe（C合成5 H 4）（C 5 H 5））。在水性介质中存在少量染料（尼罗红和pyr）的情况下，1a-1c的吸收光谱表明形成了胶束，这些胶束包裹了染料分子。在20°C下观察到两个临界胶束浓度，分别为1.1 mM和2.3 mM。化合物1a和1c显示每种均具有一个CMC，而球形和棒状两种胶束的形成取决于浓度。向1b胶束的水溶液中添加氧化剂NaOCl，使二茂铁变成二茂铁，并导致胶束分解。向2b中添加α-环糊精（α-CD）导致胶束解聚并形成水溶性[2]-和[3]假轮烷[py- N-（CH 2）8 OCH 2 Fc} （α-CD）m ] Cl（1b（α-CD）m）（m = 1，2），同时混合1c与水中的α-CD形成轮烷凝胶。将NaOCl添

表征谱图