methyl 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoate hydrochloride

• ChemBase编号: 134189
• 分子式: C11H16ClNO3
• 平均质量: 245.70264
• 单一同位素质量: 245.08187106
• SMILES: CC(Cc1ccc(cc1)O)(C(=O)OC)N.Cl
• Canonical SMILES: COC(=O)C(Cc1ccc(cc1)O)(N)C.Cl
• InChI: InChI=1S/C11H15NO3.ClH/c1-11(12,10(14)15-2)7-8-3-5-9(13)6-4-8;/h3-6,13H,7,12H2,1-2H3;1H
• InChIKey: OOVDEPZODSXAMU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoate hydrochloride
• IUPAC传统名: methyl 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoate hydrochloride
• 别名: α-MT methyl ester hydrochloride; 2-Methyl-4-hydroxy-DL-phenylalanine methyl ester hydrochloride; AMPT; α-Methyl-DL-tyrosine methyl ester hydrochloride; α-Methyltyrosine Methyl Ester Hydrochloride; (+/-)-α-Methyl-p-tyrosine Methyl Ester Hydrochloride; Methyl DL-α-methyltyrosine Hydrochloride; NSC 152035; α-Methyl-D,L-p-tyrosine Methyl Ester Hydrochloride

登记号

• CAS号: 7361-31-1
• EC号: 230-900-0
• MDL号: MFCD00012606
• Beilstein号: 5163031
• PubChem SID: 24278548; 162228466
• PubChem CID: 11957616

理论计算性质

• Acid pKa: 9.506129
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.37907392
• LogD (pH = 7.4): 1.1189746
• Log P: 1.3527097
• 摩尔折射率: 56.5796 cm^3
• 极化性: 22.433025 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: DMSO: ≥20 mg/mL, clear, colorless to faintly yellow; H2O: soluble50 mg/mL, clear, faintly yellow; Methanol; Water
• 熔点: 192 °C (dec.)(lit.)

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• RTECS编号: YP2900000
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

药理学性质

• 相关基因信息: human ... TH(7054)

产品相关信息

• 纯度: ≥98% (HPLC); ≥98.0% (TLC)
• 杂质: ≤2% water
• 线性分子式: 4-(HO)C6H4CH2C(CH3)(NH2)CO2CH3 · HCl

详细说明

Sigma Aldrich - M3281

Biochem/physiol Actions
Tyrosine hydroxylase inhibitor.
包装
1, 5 g in poly bottle

Sigma Aldrich - 69578

Biochem/physiol Actions
Tyrosine hydroxylase inhibitor.
Other Notes
Catecholamine depletor. Inhibitor of tyrosine hydroxylase1; Prevention of nerve terminal damage in cerebral ischemia2

Toronto Research Chemicals - M332740

A metabolite of Dopamine and Noradrenaline.

参考文献

• Pfeiffer, F.R., et al.: J. Med. Chem., 27, 325 (1984)