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33419-42-0 分子结构
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(10R,11R,15R,16S)-16-{[(2R,4aR,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one

ChemBase编号:179694
分子式:C29H32O13
平均质量:588.55658
单一同位素质量:588.18429108
SMILES和InChIs

SMILES:
[C@@H]12[C@@H](c3c([C@H]([C@H]1C(=O)OC2)c1cc(c(c(c1)OC)O)OC)cc1c(c3)OCO1)OC1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C)O)O
Canonical SMILES:
COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)OC1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C
InChI:
InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29?/m1/s1
InChIKey:
VJJPUSNTGOMMGY-PJVTZUROSA-N

引用这个纪录

CBID:179694 http://www.chembase.cn/molecule-179694.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(10R,11R,15R,16S)-16-{[(2R,4aR,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one
IUPAC传统名
(10R,11R,15R,16S)-16-{[(2R,4aR,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one
别名
Abiposid
Amizide
Citodox
Etopophos
Exitop
Toposar
Vepesid
Vepeside
Vespid
Etoposide
CAS号
33419-42-0
PubChem SID
164235604
PubChem CID
17571827

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格
InterBioScreen
Bio-0037 external link 加入购物车 请登录
数据来源 数据ID
PubChem 17571827 external link

理论计算性质

理论计算性质

JChem
Acid pKa 9.329948  质子受体 12 
质子供体 LogD (pH = 5.5) 1.1603667 
LogD (pH = 7.4) 1.155394  Log P 1.1604304 
摩尔折射率 139.0212 cm3 极化性 55.93246 Å3
极化表面积 160.83 Å2 可自由旋转的化学键
里宾斯基五规则 false 

分子性质

分子性质

药理学性质 产品相关信息 生物活性(PubChem)
生物活性机理
DNA topoisomerase II inhibitor expand 查看数据来源
应用领域
Antineoplastic agent expand 查看数据来源

详细说明

详细说明

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
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  • Issell, B.F. et al., Etoposide (VP-16): Curr. Status New Dev. [Pap. Symp], (Eds.), Academic Press, 1984, (book)
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  • Holthuis, J.J.M. et al., Anal. Profiles Drug Subst., 1989, 18, 121, (rev)
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  • Sthelin, H.F. et al., Cancer Res., 1991, 51, 5, (rev)
  • Semin. Oncol., Suppl. 13, 1992, 19, (rev)
  • von Wartburg, A. et al., Chron. Drug Discovery, 1993, 3, 349, (rev)
  • Cragg, G. et al., Anticancer Drugs: Antimetabolite Metabolism and Natural Anticancer Agents, (ed. Powis, G.), Pergamon Press, 1994, 364, (rev)
  • Negwer, M., Organic-Chemical Drugs and their Synonyms, 7th edn., Akademie-Verlag, 1994, 10960, (synonyms)
  • Hainsworth, J.D. et al., Ann. Oncol., 1995, 6, 325, (pharmacol, rev)
  • Martindale, The Extra Pharmacopoeia, 32nd edn., Pharmaceutical Press, 1999, 532
  • Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, EAV500
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专利

专利

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互联网资源

互联网资源

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