mono-6-O-(2-naphthalenesulfonyl)-γ-cyclodextrin | 88718-13-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: mono-6-O-(2-naphthalenesulfonyl)-γ-cyclodextrin
• 英文别名: [(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-5,10,15,25,30,35,40-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-20-yl]methyl naphthalene-2-sulfonate
• CAS: 88718-13-2
• 化学式: C₅₈H₈₆O₄₂S
• 分子量: 1487.36
• InChiKey: KSKJFNHTNAUWHH-GWTFMUFBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -14.2
• 重原子数：
  101
• 可旋转键数：
  11
• 环数：
  32.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  665
• 氢给体数：
  23
• 氢受体数：
  42

反应信息

• 作为反应物：
  描述：

  mono-6-O-(2-naphthalenesulfonyl)-γ-cyclodextrin 在 叠氮化锂 作用下， 以 水 为溶剂， 反应 4.0h， 以74%的产率得到mono-(6^A-azido-6^A-deoxy)-γ-cyclodextrin
  参考文献：
  名称：

  Djedaini-Pilard, Florence; Azaroual-Bellanger, Nathalie; Gosnat, Muriel, Journal of the Chemical Society. Perkin transactions II, 1995, # 4, p. 723 - 730

  摘要：

  DOI：
• 作为产物：
  描述：

  2-萘磺酰氯 、 γ-环糊精 以 吡啶 为溶剂， 反应 5.0h， 以34%的产率得到mono-6-O-(2-naphthalenesulfonyl)-γ-cyclodextrin
  参考文献：
  名称：

  EXCIMER FORMATION IN THE CAVITY OF γ-CYCLODEXTRIN APPENDED BY A NAPHTHALENE MOIETY

  摘要：

  γ-环糊精与萘基相连，在其空腔内与萘形成激子。1-冰片醇的加入导致激子发射减少，因为1-冰片醇取代了其中的萘。

  DOI：

  10.1246/cl.1983.1635

文献信息

• Association, photodimerization, and induced-fit types of host-guest complexation of anthracene-appended .gamma.-cyclodextrin derivatives
  作者：Akihiko. Ueno、Fumio. Moriwaki、Tetsuo. Osa、Fumio. Hamada、Koichi. Murai

  DOI：10.1021/ja00221a036

  日期：1988.6

  Des derives de la γ-cyclodextrine comportant un ou deux fragments anthracenes sont prepares et leurs associations sont etudiees par spectroscopie en solution

  Des 派生 de la γ-环糊精重要的 un ou deux 片段 anthracenes sont prepares et leurs associations sont etudiees par spectroscopie en solution
• 6-Mercapto-cyclodextrin derivatives:reversal agents for drug-induced neuromuscular block
  申请人：Akzo Nobel

  公开号：US06670340B1

  公开（公告）日：2003-12-30

  Disclosed is a 6-mercapto-cyclodextrin derivative having general formula (I) wherein m is 0-7 and n is 1-8 and m+n=7 or 8; R is (C1-6)alkylene, optionally substituated with 1-3 OH groups, or (CH2)o-phenylene-(CH2)p—; o and p are independently 0-4; X is COOH, CONHR1, NHCOR2, SO2OH, PO(OH)2, O(CH2—CH2—O)q—H, OH or tetrazol-5-yl; R1 is H or (C1-3)alkyl; R2 is carboxyphenyl; q is 1-3; or pharmaceutically acceptable salts thereof. The 6-mercaptocyclodextrin derivative is highly suitable for use in the reversal of drug-induced neuromuscular block.

  揭示了一种具有通式（I）的6-巯基环糊精衍生物，其中m为0-7，n为1-8，且m＋n=7或8；R为（C1-6）烷基，可选地取代有1-3个OH基团，或（CH2）o-苯基-（CH2）p—；o和p独立地为0-4；X为COOH，CONHR1，NHCOR2，SO2OH，PO（OH）2，O（CH2—CH2—O）q—H，OH或四唑-5-基；R1为H或（C1-3）烷基；R2为羧基苯基；q为1-3；或其药学上可接受的盐。这种6-巯基环糊精衍生物非常适合用于逆转药物诱导的神经肌肉阻滞。
• A γ-cyclodextrin thiazolium salt holoenzyme mimic for the benzoin condensation
  作者：Ronald Breslow、Eric Kool

  DOI：10.1016/s0040-4039(00)82004-3

  日期：1988.1

  Several thiazolium salts have been attached to a C-6 carbon of γ-cyclodextrin. They catalyze the benzoin condensation of benzaldehyde very effectively.

  几种噻唑鎓盐已连接到γ-环糊精的C-6碳上。它们非常有效地催化苯甲醛的安息香缩合。
• Enzymatic Synthesis of Specifically Modified Linear Oligosaccharides from γ-Cyclodextrin Derivatives. Study on Importance of Active Sites of Taka Amylase A
  作者：Kahee Fujita、Tsutomu Tahara、Toshitaka Koga、Taiji Imoto

  DOI：10.1246/bcsj.62.3150

  日期：1989.10

  Specifically modified linear oligosaccharides were prepared by enzymatic hydrolysis of 6- or 2-O-substituted γ-cyclodextrin by Taka amylase A. These results suggest that the importance of the interactions between hydroxyl groups and the subsites (P–V) of Taka amylase A decreases in the following order; for C-6-OH, S>R>T>Q, U and for C-2-OH, R,S>T>Q, U.

  特定修改的线性寡糖是通过Taka淀粉酶A对6-或2-O取代的γ-环糊精进行酶解得到的。这些结果表明，羟基之间的相互作用以及与Taka淀粉酶A的亚位点（P–V）的重要性按以下顺序递减；对于C-6-OH，顺序为S>R>T>Q，U；对于C-2-OH，顺序为R,S>T>Q，U。
• Enzymatic Preparation of Specifically Modified Linear Maltooligosaccharides through Taka-amylase A-catalyzed Hydrolysis of 6-<i>O</i>-Arenesulfonyl-γ-cyclodextrins
  作者：Kahee Fujita、Tsutomu Tahara、Taiji Imoto、Toshitaka Koga

  DOI：10.1246/cl.1988.1329

  日期：1988.8.5

  6-O-Arenesulfonyl-γ-cyclodextrins were hydrolyzed enzymatically by Taka-amylase A to give 6″-O-arenesulfonylated maltotetraoses and 6″-O-arenesulfonylated maltotrioses.

  6-O-芳烃磺酸基-γ-环糊精被塔卡淀粉酶A酶解，产生了6″-O-芳烃磺酸基麦芽四糖和6″-O-芳烃磺酸基麦芽三糖。