CAS: 101485-50-1; (3S,6R,7R,22R,23S,26S,36R,38Ar)-3-(2-Amino-2-Oxoethyl)-10,19-Dichloro-7,22,28,30,32-Pentahydroxy-6-((R)-4-Methyl-2-(Methylamino)Pentanamido)-2,5,24,38,39-Pentaoxo-44-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-2,3,4,5,6,7,23,24,25,26,36,37,38,38A-Tetradecahydro-1H,22H-23,36-(Epiminomethano)-8,11:18,21-Dietheno-13,16:31,35-Di(Metheno)Benzo[n][1]Oxa[6,9]Diazacyclohexadecino[4,5-D][1]Oxa[7,17]Diazacyclotetracosine-26-Carboxylic Acid

英文名称(3S,6R,7R,22R,23S,26S,36R,38Ar)-3-(2-Amino-2-Oxoethyl)-10,19-Dichloro-7,22,28,30,32-Pentahydroxy-6-((R)-4-Methyl-2-(Methylamino)Pentanamido)-2,5,24,38,39-Pentaoxo-44-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-2,3,4,5,6,7,23,24,25,26,36,37,38,38A-Tetradecahydro-1H,22H-23,36-(Epiminomethano)-8,11:18,21-Dietheno-13,16:31,35-Di(Metheno)Benzo[n][1]Oxa[6,9]Diazacyclohexadecino[4,5-D][1]Oxa[7,17]Diazacyclotetracosine-26-Carboxylic Acid
中文名称去甲糖胺基万古霉素
IUPAC名称(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-10,19-dichloro-7,22,28,30,32-pentahydroxy-6-((R)-4-methyl-2-(methylamino)pentanamido)-2,5,24,38,39-pentaoxo-44-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)benzo[n][1]oxa[6,9]diazacyclohexadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-26-carboxylic acid
其它别名Devancosaminyl-Vancomycin; Desvancosaminyl Vancomycin; Vancomycin Pseudoaglycone; Desvancosaminyl-Vancomycin; Devancoaminyl Vancomycin; Pseudovancomycin
CAS编号101485-50-1
MFCD编号:MFCD28898455
FDA UNII编号:43WYS9K792
分子式:C59H62Cl2N8O22分子量:1306.08
产品CID: 28008
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: QCHYVJAUGVHJHX-QYURSJLOSA-N
InChI=1S/C59H62Cl2N8O22/c1-20(2)10-30(63-3)52(80)68-44-46(75)22-5-8-34(28(60)12-22)88-36-14-24-15-37(51(36)91-59-50(79)49(78)48(77)38(19-70)90-59)89-35-9-6-23(13-29(35)61
计算化学: 氢键受体数23.0氢键供体数18.0可旋转键数11.0

物理性质

密度1.70±0.1 g/cm3(预测)
pKa:2.95±0.70(预测)
PSA:486.01
LogP:2.9948
溶解性DMSO (Slightly), Methanol (Slightly, Heated)
外观形态白色至类白色固体

MSDS等安全信息

上下游产品

vancomycin hydr°Chloride vancomycin vancomycin aglycon diphosphoric acid 1''-β-D-[1'']glucopyranosyl ester 2-(uridin-5'-yl)estervancomycin aglycon vancomycin chloroorienticin B

合成工艺路线路线简述

📜万古霉素置于三氟乙酸体系中,化学反应 40.0H,反应生成去甲糖胺基万古霉素
参考文献:从万古霉素和相关抗生素中选择性裂解凡可可胺,葡萄糖和n-甲基亮氨酸
标题:从万古霉素和相关抗生素中选择性裂解凡可可胺,葡萄糖和n-甲基亮氨酸
摘要:万古霉素和相关抗生素与三氟乙酸在-15oc的条件下反应40小时,可选择性裂解氨基糖类香豆素.通过与三氟乙酸在50oc下反应3小时,除去第二个糖(葡萄糖),并使用edman降解程序裂解n末端亮氨酸部分.
Doi:10.1039/c39880001306

海关参考信息

2905122000-异丙醇
2905310000-1,2-乙二醇
2905320000-1,2-丙二醇
2905399001-1,3-丙二醇
2905399002-1,4-丁二醇
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

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供应商参考报价(招募中)

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实用工具

📌 第三方产品分析报告

✅ COA系统入驻 | 共享模式

合成参考文献

参考文献:10.1038/nchembio.638
摘要:Gantt RW, Peltier-Pain P, Cournoyer WJ, Thorson JS. Using simple donors to drive the equilibria of glycosyltransferase-catalyzed reactions. Nature Chemical Biology. 2011 Aug 21;7(10):685–91. doi: 10.1038/nchembio.638.