CAS: 53643-13-3; N-((2S,3R,4R,5S,6R)-5-(((2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-2-(((2R,3S,4R,5R,6S)-5-Acetamido-4-Hydroxy-2-(Hydroxymethyl)-6-((4-Methyl-2-Oxo-2H-Chromen-7-yl)Oxy)Tetrahydro-2H-Pyran-3-yl)Oxy)-4-Hydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-3-yl)Acetamide

该化合物是合成的基甲基苯基(chitorioside)衍生物,配有4-甲基苯丙基(MU)报告器组. 这一化合物为β-甲苯基苯并酯活动提供了高度敏感和选择性,促进了甘蓝蛋白分析. 它独特的三乙基乙基乙酰基乙基甲基甲酸混合物可以增强稳定性和生物利用率,使它更适合复杂的甘蛋白研究.

英文名称N-((2S,3R,4R,5S,6R)-5-(((2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-2-(((2R,3S,4R,5R,6S)-5-Acetamido-4-Hydroxy-2-(Hydroxymethyl)-6-((4-Methyl-2-Oxo-2H-Chromen-7-yl)Oxy)Tetrahydro-2H-Pyran-3-yl)Oxy)-4-Hydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-3-yl)Acetamide
中文名称4-甲基伞形酮基Β-D-N,N`,N``-三乙酰基壳三糖苷
IUPAC名称N-((2S,3R,4R,5S,6R)-5-(((2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(((2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide
其它别名4-Methyl-7-Coumarinyl-Tri-N-Acetyl-Beta-Chitotrioside; 4-Methylumbelliferyl-N,N',N''-Triacetyl-Beta-Chitotrioside; 4-Methylumbelliferyl Beta-D-N,N',N''-Triacetylchitotriose; 4-Methylumbelliferyl Beta-D-N,N',N'-Triacetylchitotrioside; Glcnac1-B-4Glcnac1-B-4Glcnac1-B-4Mu; 4-Methylumbelliferyl B-D-N,N,N-*triacetylchito; 4-Methylumbelliferyl B-D-N,N,N Triacetylchitotrioside; 4-Meu-Triac-Chitotrioside
CAS编号53643-13-3
MFCD编号:MFCD00036892
分子式:C34H47N3O18分子量:785.75
产品CID: 2509882
产品分类生物化工 → 糖类化合物 → 寡糖

相似结构搜索
InChIKey: BNYGKUQXGBVTRE-JFWBNMEYSA-N
InChI=1S/C34H47N3O18/c1-12-7-22(44)50-18-8-16(5-6-17(12)18)49-32-24(36-14(3)42)28(47)30(20(10-39)52-32)55-34-25(37-15(4)43)29(48)31(21(11-40)53-34)54-33-23(35-13(2)41)27(
计算化学: 氢键受体数18.0氢键供体数10.0可旋转键数12.0

物理性质

熔点256-257°C dec.
沸点1211.6±65.0 °C(预测)
密度1.56±0.1 g/cm3(预测)
pKa:12.66±0.70(预测)
PSA:314.5
LogP:-3.4674
溶解性DMSO (Very Slightly, Heated, Sonicated), Methanol (Very Slightly)
外观形态白色至淡黄色固体
储存条件2-8°C
产品应用该化合物用作生命科学研究.

上下游产品

4-methylcoumarin-7-yloxy decaacetyl-β-chitotrioside -3,6-di-O-acetyl-2-deoxy-β-D-glucopyranosyl)-3,6-di-O-acetyl-2-deoxy-α-D-glucopyranosylchloride2-acetamido-4-O-(2-acetamido-4-O-2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosyl-3,6-di-O-acetyl-2-deoxy-β-D-glucopyranosyl)-3,6-di-O-acetyl-2-deoxy-α-D-glucopyranosylchloride (2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosyl)-(1->4)-(2-acetamido-3,6-di-O-acetyl-2-deoxy-β-D-glucopyranosyl)-(1->4)-2-acetamido-1,3,6-tri-O-acetyl-2-deoxy-α-D-glucopyranose sodium 4-methylumbelliferonate 7-hydroxy-4-methyl-chromen-2-one chitotriose N,N'-diacetylchitobiose N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-hydroxymethyl-2-(4-methyl-2-oxo-2H-chromen-7-yloxy)-tetrahydro-pyran-3-yl]-acetamide

合成工艺路线路线简述

📜Sodium 4-Methylumbelliferonate置于sodium Methylate体系中,用甲醇,氯仿,N,N-二甲基甲酰胺作为反应溶剂,化学反应 32.0H,反应生成 4-甲基伞形酮 N,N',N''-三乙酰基-Beta-壳丙糖苷
参考文献:Inaba,Toyoaki; Ohgushi,Tadayasu; Iga,Yoshiro,Chemical And Pharmaceutical Bulletin,1984,Vol. 32,# 4,P. 1597-1603
标题:Inaba,Toyoaki; Ohgushi,Tadayasu; Iga,Yoshiro,Chemical And Pharmaceutical Bulletin,1984,Vol. 32,# 4,P. 1597-1603

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
💡 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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合成参考文献

参考文献:10.1007/s11248-010-9374-9
摘要:Parkhi V, Kumar V, Campbell LM, Bell AA, Shah J, Rathore KS. Resistance against various fungal pathogens and reniform nematode in transgenic cotton plants expressing Arabidopsis NPR1. Transgenic Res. 2010 Dec;19(6):959–75. doi: 10.1007/s11248-010-9374-9.