2-(3-aminopropanamido)-3-(1H-imidazol-4-yl)propanoic acid

• ChemBase编号: 102276
• 分子式: C9H14N4O3
• 平均质量: 226.23246
• 单一同位素质量: 226.10659033
• SMILES: NCCC(=O)NC(Cc1c[nH]cn1)C(=O)O
• Canonical SMILES: NCCC(=O)NC(C(=O)O)Cc1nc[nH]c1
• InChI: InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)
• InChIKey: CQOVPNPJLQNMDC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-aminopropanamido)-3-(1H-imidazol-4-yl)propanoic acid
• IUPAC传统名: L-histidine, N-β-alanyl-; carnosine
• 别名: L-Carnosine; β-Alanyl-L-histidine; β-ALA-HIS

登记号

• CAS号: 305-84-0
• EC号: 206-169-9
• PubChem SID: 162088421
• PubChem CID: 9369

理论计算性质

• Acid pKa: 3.3612406
• 质子受体: 5
• 质子供体: 4
• LogD (pH = 5.5): -4.928625
• LogD (pH = 7.4): -4.1909065
• Log P: -4.174497
• 摩尔折射率: 54.9962 cm^3
• 极化性: 21.548273 Å^3
• 极化表面积: 121.1 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: 0°C
• RTECS编号: MS3080000

产品相关信息

• 纯度: ~99%
• 分类: Genuine Natural Compounds

详细说明

MP Biomedicals - 02100936

Dipeptide with potent antioxidant and antiglycation activity; blocks nonenzymatic glycosylation and protein cross-linking induced by reactive aldehydes.
L-Carosine is a dipeptide found at millimolar concentration in brain, muscle and the lens of the eye. In model systems it is a potent antioxidant that scavenges oxygen free radicals and transition metal ions. It blocks protein-protein and protein-DNA cross-links induced by hypochlorite anions and toxic aldehydes such as acetaldehyde, formaldehyde, and malondialdehyde, the primary product of lipid peroxidation. It also inhibits nonenzymatic protein glycation induced by aldose and ketose reducing sugars and inhibits the formation of toxic advanced glycation end products (AGE). These activities make it of interest in studies of aging, atherosclerosis, Alzheimer's disease, and the secondary effects of diabetes.
Crystalline
Purity: Approx. 99%