CAS: 157664-03-4; (2Ar,4S,4As,6R,9S,11S,12S,12Ar,12Bs)-12B-Acetoxy-6,9,11-Trihydroxy-4A,8,13,13-Tetramethyl-5-Oxo-4-(((2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-yl)Oxy)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-Dodecahydro-1H-7,11-Methanocyclodeca[3,4]Benzo[1,2-B]Oxet-12-Yl Benzoate

该化合物是用于抗癌疗法的毒剂,特别是丙烯丙烷和甲烯丙烷的半合成的关键中间体,其结构特征是附于巴氏三核的β-D-xylose social, 提高其溶性,使其具有进一步的化学改变的再活性;其高纯度和稳定性使它成为药物应用的首选起始材料;xylosyl组的存在也允许选择性的功能化,使高效衍生产生生物活性毒剂;作为关键前体,7-β-D-Xylosylbassain III提供了可靠和可扩展的通向强效抗舌剂的路径,支持在肿瘤研究和药物开发方面取得进展.

英文名称(2Ar,4S,4As,6R,9S,11S,12S,12Ar,12Bs)-12B-Acetoxy-6,9,11-Trihydroxy-4A,8,13,13-Tetramethyl-5-Oxo-4-(((2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-yl)Oxy)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-Dodecahydro-1H-7,11-Methanocyclodeca[3,4]Benzo[1,2-B]Oxet-12-Yl Benzoate
中文名称10-O-去乙酰基-7-O-β-D-吡喃木糖基浆果赤霉素 III
IUPAC名称(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-6,9,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
其它别名7-Xylosyl-10-Deacetylbaccatin Iii; 10-O-Deacetyl-7-O-Beta-D-Xylopyranosylbaccatin Iii; 7-β-D-Xylosylbaccatin Iii; 7,11-Methano-5H-Cyclodeca[3,4]Benz[1,2-B]Oxet-5-One, 12B-(Acetyloxy)-12-(Benzoyloxy)-1,2A,3,4,4A,6,9,10,11,12,12A,12B-Dodecahydro-6,9,11-Trihydroxy-4A,8,13,13-Tetramethyl-4-(β-D-Xylopyranosyloxy)-, (2Ar,4S,4As,6R,9S,11S,12S,12Ar,12Bs)-; 7-β-D-Xylosylbaccatiniii
CAS编号157664-03-4
MFCD编号:MFCD32644994
分子式:C34H44O14分子量:676.71
产品CID: 787706
产品分类天然产物 → 萜类

相似结构搜索
InChIKey: PAYIYFPUFSJTDA-HEJNHQNCSA-N
InChI=1S/C34H44O14/c1-15-18(36)12-34(43)28(47-29(42)17-9-7-6-8-10-17)26-32(5,27(41)24(39)22(15)31(34,3)4)20(11-21-33(26,14-45-21)48-16(2)35)46-30-25(40)23(38)19(37)13-44-
计算化学: 氢键受体数14.0氢键供体数6.0可旋转键数7.0

MSDS等安全信息

危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
安全声明H303+H313+H333

上下游产品

7-O-(β-xylosyl)-10-deacetyltaxol

合成工艺路线路线简述

📜7-木糖甙-10-脱乙酰基紫杉醇反应生成10-O-去乙酰基-7-O-Beta-D-吡喃木糖基浆果赤霉素 Iii
参考文献:Microbial Hydrolysis Of 7-Xylosyl-10-Deacetyltaxol To 10-Deacetyltaxol
标题:Microbial Hydrolysis Of 7-Xylosyl-10-Deacetyltaxol To 10-Deacetyltaxol
摘要:Enterobacter Sp. Cgmcc 2487,A Bacterial Strain Isolated From The Soil Around A Taxus Cuspidata Sieb. Et Zucc. Plant,Was Able To Remove The Xylosyl Group From 7-Xylosyltaxanes. The Xylosidase Of This Strain Was An Inducible Enzyme. In The Bioconversion Of 7-Xylosyl-10-Deacetyltaxol (7-Xdt) To 10-Deacetyltaxol (10-Dt),For The Purpose Of Enhancing The Conversion Efficiency,The Effects Of Nh4+,Oat Xylan,Temperature,Ph Value,Cell Density And Substrate Concentration On The Bioconversion Have Been Systematically Investigated. 3.0 Mm Nh4+,0.6% Oat Xylan In The Media Could Enhance The Yield Of 10-Dt; The Optimum Biocatalytic Temperature Was 26 Degrees C And Optimum Ph Value Was 6.0. The Highest Conversion Rate And Yield Of 10-Dt From 7-Xdt Reached 92% And 764 Mg/l,Respectively. In Addition,The Biocatalytic Capacity Of The Cell Cultures Remained 66.1% After Continuous Three Batches. These Results Indicate That Converting 7-Xdt To 10-Dt,A Useful Intermediate For The Semisynthesis Of Paclitaxel Or Other Taxane-Based Anticancer Drugs By A Novel Bacterial Strain,Enterobacter Sp. Cgmcc 2487,Would Be An Alternative For The Practical Application In The Future. (C) 2010 Elsevier B.V. All Rights Reserved.
Doi:10.1016/j.Molcatb.2010.11.013