3-甲氧基-4-羟基扁桃酸
| 中文名称 | 3-甲氧基-4-羟基扁桃酸 |
|---|---|
| 中文同义词 | 3-甲氧基-4-羟基扁桃酸;4-羟基-3-甲氧基扁桃酸;香草扁桃酸;DL-4-羟基-3-甲氧基苦杏仁酸;4-羟基-3-甲氧基苯乙醇酸;3-甲氧基-4-羟基扁桃酸 标准品;肾上腺素杂质12(4-羟基-3-甲氧基苯乙醇酸-D3,VMA-D3);3-甲氢基-4-羟基扁桃酸 |
| 英文名称 | 4-Hydroxy-3-methoxymandelic acid |
| 英文同义词 | alpha,4-dihydroxy-3-methoxy-benzeneaceticaci;HYDROXY-3-METHOXYMANDELIC ACID, D,L-4-;DL-3-METHOXY-4-HYDROXYMANDELIC ACID;DL-VANILLOMANDELIC ACID;ALPHA,4-DIHYDROXY-3-METHOXYBENZENEACETIC ACID;VANILMANDELIC ACID;VANILLYLMANDELIC ACID;VANILLOMANDELIC ACID |
| CAS号 | 55-10-7 |
| 分子式 | C9H10O5 |
| 分子量 | 198.17 |
| EINECS号 | 200-224-0 |
| 相关类别 | 小分子抑制剂;细胞信号和神经生物学;细胞生物学;生化试剂-其他化学试剂;化学试剂;中药对照品;Aromatics Compounds;Aromatics;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;Aromatics, Metabolites & Impurities, Pharmaceuticals, Intermediates & Fine Chemicals;临床检测标准物质 |
| Mol文件 | 55-10-7.mol |
| 结构式 |  |
3-甲氧基-4-羟基扁桃酸 性质
| 熔点 | 132-134 °C (dec.)(lit.) |
|---|---|
| 沸点 | 255.48°C (rough estimate) |
| 密度 | 1.2539 (rough estimate) |
| 折射率 | 1.4570 (estimate) |
| FEMA | 4660 | HYDROXY(4-HYDROXY-3-METHOXYPHENYL)ACETIC ACID |
| 储存条件 | 2-8°C |
| 溶解度 | H2O:~50 mg/mL |
| 形态 | 粉末 |
| 酸度系数(pKa) | 3.42±0.10(Predicted) |
| 颜色 | 白色至类白色 |
| 水溶解性 | freely soluble |
| Merck | 14,9933 |
| JECFA Number | 2020 |
| BRN | 2213227 |
| 主要应用 | 临床测试 |
| InChI | 1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) |
| InChIKey | CGQCWMIAEPEHNQ-UHFFFAOYSA-N |
| SMILES | OC1=C(OC)C=C(C(O)C(O)=O)C=C1 |
| LogP | -0.212 (est) |
| EPA化学物质信息 | Benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy- (55-10-7) |
3-甲氧基-4-羟基扁桃酸是制备新型广谱抗菌药物甲氧苄胺嘧啶和香草醛的重要中间体，3-乙氧基-4羟基扁桃酸是制备乙氧基香草醛的中间体。香兰素或乙基香兰素为广谱香料，可用作定香剂、调味剂和变味剂。3-甲氧基-4-羟基扁桃酸是制备新型广谱抗菌药物甲氧苄胺嘧啶和香草醛的重要中间体。Vanillylmandelic acid (VMA)是合成人工香草调味料的中间物，是儿茶酚胺的终末期代谢物。
Vanillylmandelic acid has antioxidant activity, the IC 50 value is determined as the amount of VMA required to reduce 50% of the starting concentration of free radical is 33*10 -6 M in the UV-Vis decolourisation DPPH assay.
Vanillylmandelic acid (intra-arterial injection over 1 min; 1, 10 and 100 mg/kg; the 60 min-observation period) produces a significant difference between vanillylmandelic acid groups and controls. Vanillylmandelic acid decreases the heart rate by 17.5%, 17.9% and 18.9% after 1, 10 and 100 mg/kg, respectively. Mean blood pressure is decreased by 13.5% in control animals as compared to 37%, 23% and 26% after 1, 10 and 100 mg/kg, respectively, in wistar rats.
安全信息
| 危险品标志 | Xi |
|---|---|
| 危险类别码 | 36/37/38 |
| 安全说明 | 26-36-37/39 |
| WGK Germany | 3 |
| F | 10-23 |
| TSCA | TSCA listed |
| 海关编码 | 29181998 |
| 存储类别 | 11 - 可燃固体 |
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