(2S)-2-amino-5-phosphonopentanoic acid

• ChemBase编号: 105117
• 分子式: C5H12NO5P
• 平均质量: 197.126241
• 单一同位素质量: 197.04530912
• SMILES: N[C@@H](CCCP(=O)(O)O)C(=O)O
• Canonical SMILES: OC(=O)[C@H](CCCP(=O)(O)O)N
• InChI: InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m0/s1
• InChIKey: VOROEQBFPPIACJ-BYPYZUCNSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-amino-5-phosphonopentanoic acid
• IUPAC传统名: (2S)-2-amino-5-phosphonopentanoic acid
• 别名: APV; 5-Phosphononorvaline; L-AP5; L-(+)-2-AMINO-5-PHOSPHONO-PENTANOIC ACID

登记号

• CAS号: 79055-67-7
• PubChem SID: 162093280
• PubChem CID: 1617110

理论计算性质

• Acid pKa: 1.6680644
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): -5.8741164
• LogD (pH = 7.4): -6.5600853
• Log P: -3.2310975
• 摩尔折射率: 40.5915 cm^3
• 极化性: 16.462873 Å^3
• 极化表面积: 120.85 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

药理学性质

• 生物活性机理: Selective NMDA antagonist

产品相关信息

• 纯度: 99%
• 应用领域: Antiepileptic agent

详细说明

MP Biomedicals - 02158864

(L-(+)-2-Amino-5-phosphono-
valeric acid; L-AP5)
Purity: 99%
Less active form than AP5.

参考文献

• Watkins, J.C., et al., Ann. Rev. Pharmacol. Toxicol., 21: 165 (1981).
• Hansen, J.J. and Krogsgaard-Larsen, P., Med. Res.
• Evans et al (1982) The effect of a series of w-phosphonic-a-carboxylic amino acids on electrically evoked and amino acid induced responses in isolated spinal cord preparations. Br.J.Pharmacol. 75 65.