methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

• ChemBase编号: 18419
• 分子式: C10H13NO3
• 平均质量: 195.21512
• 单一同位素质量: 195.08954328
• SMILES: C(=O)([C@H](Cc1ccc(cc1)O)N)OC
• Canonical SMILES: COC(=O)[C@H](Cc1ccc(cc1)O)N
• InChI: InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1
• InChIKey: MWZPENIJLUWBSY-VIFPVBQESA-N

名称和登记号

名称

• IUPAC标准名: methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
• IUPAC传统名: tyrosine methyl ester
• 别名: L-酪氨酸甲酯; (S)-2-Amino-3-(4-hydroxy-phenyl)-propionic acid methyl ester; L-TYROSINE-C-METHYL ETHER; L-Tyrosine methyl ester; H-Tyr-OMe; L-Tyrosine Methyl Ester; (S)-2-Amino-3-(4-hydroxyphenyl)propionic Acid Methyl Ester; Methyl Tyrosinate; Methyl (2S)-2-Amino-3-(4-hydroxyphenyl)propionate; Methyl L-Tyrosinate

登记号

• CAS号: 1080-06-4
• EC号: 214-095-3
• MDL号: MFCD00002392
• Beilstein号: 2372626
• PubChem SID: 24900583; 160981726
• PubChem CID: 70652

理论计算性质

• Acid pKa: 9.505287
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.57257354
• LogD (pH = 7.4): 0.77382225
• Log P: 0.9199438
• 摩尔折射率: 51.8663 cm^3
• 极化性: 20.595379 Å^3
• 极化表面积: 72.55 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate; Methanol
• 外观: White Solid
• 熔点: 134-136 °C; 134-136 °C(lit.)
• 比旋光度: [α]20/D +26°, c = 2.4 in methanol; [α]20/D +27±1°, c = 4% in methanol

安全信息

• 保存注意事项: IRRITANT
• 德国WGK号: 3
• TSCA收录: false
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C; 2-8°C

产品相关信息

• 纯度: ≥99.0% (NT); 95+%; 98%
• 级别: puriss.
• 线性分子式: 4-(HO)C6H4CH2CH(NH2)COOCH3

详细说明

MP Biomedicals - 05223166

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T90808

包装
25 g in poly bottle
5 g in glass bottle

Toronto Research Chemicals - M332525

L-Tyrosine-induced antinociception is mediated by central .delta.-opioid receptors and by the bulbo-spinal noradrenergic system.

参考文献

• Kawabata, A., et al.: Eur. J. Pharma., 233, 255 (1993)
• 11) Watanabe, T., et al.: Life Sci., 54, 369 (1993)
• Zhang, D., et al.: J. Biotechnol., 128, 788 (1993)