2-amino-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}-3-(4-methoxyphenyl)propanamide hydrochloride

• ChemBase编号: 105806
• 分子式: C22H30ClN7O5
• 平均质量: 507.9705
• 单一同位素质量: 507.19969478
• SMILES: Cl.COc1ccc(CC(N)C(=O)NC2C(O)C(OC2CO)n2cnc3c(ncnc23)N(C)C)cc1
• Canonical SMILES: OCC1OC(C(C1NC(=O)C(Cc1ccc(cc1)OC)N)O)n1cnc2c1ncnc2N(C)C.Cl
• InChI: InChI=1S/C22H29N7O5.ClH/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12;/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32);1H
• InChIKey: MXJUOYXSYWPMAR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}-3-(4-methoxyphenyl)propanamide hydrochloride
• IUPAC传统名: puromycin hydrochloride
• 别名: Stylomycin; PUROMYCIN DIHYDROCHLORIDE

登记号

• CAS号: 58-58-2
• EC号: 200-387-8
• PubChem SID: 162087640
• PubChem CID: 19020

理论计算性质

• Acid pKa: 12.349177
• 质子受体: 10
• 质子供体: 4
• LogD (pH = 5.5): -2.8206933
• LogD (pH = 7.4): -1.0225005
• Log P: -0.29873976
• 摩尔折射率: 122.9609 cm^3
• 极化性: 47.873817 Å^3
• 极化表面积: 160.88 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: 0°C
• RTECS编号: AU7355000

详细说明

MP Biomedicals - 02194539

Cell Culture Reagent Dihydrochloride Crystalline Antimicrobial Causes premature chain termination in protein synthesis, and is an inhibitor of aminopeptidase and enkephalinase.

参考文献

• Reboud, A.M., et al., Biochemistry, 20: 5281 (1981).
• Pekarek, J., et al., Immunology, 31: 773 (1976).