{[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid sodium

• ChemBase编号: 133575
• 分子式: C10H14N5NaO7P
• 平均质量: 370.210991
• 单一同位素质量: 370.05285372
• SMILES: c1nc(c2c(n1)n(cn2)C1C(C(C(O1)CO)OP(=O)(O)O)O)N.[Na]
• Canonical SMILES: OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N.[Na]
• InChI: InChI=1S/C10H14N5O7P.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)
• InChIKey: VYSITLSPGMCELY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid sodium
• IUPAC传统名: 3'-adenylic acid sodium
• 别名: 3′-腺苷酸; 腺苷-3′-磷酸 钠盐; 3′-AMP; Adenosine 3′-monophosphate sodium salt

登记号

• CAS号: 4958-39-8
• MDL号: MFCD00065985
• PubChem SID: 24890422; 162227852
• PubChem CID: 16218832

理论计算性质

• Acid pKa: 0.8653417
• 质子受体: 10
• 质子供体: 5
• LogD (pH = 5.5): -4.829372
• LogD (pH = 7.4): -6.054201
• Log P: -5.274322
• 摩尔折射率: 74.0685 cm^3
• 极化性: 29.089455 Å^3
• 极化表面积: 186.07 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 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

产品相关信息

• 生物来源: from Saccharomyces cerevisiae

详细说明

Sigma Aldrich - A0386

Application
Adenosine 3′-monophosphate (3′-AMP) is a metabolite produced from hydrolysis of 2′,3′-cAMP by a family of metal-dependent phosphodiesterases. 3′-AMP inhibit proliferation of preglomerular vascular smooth muscle cells and glomerular mesangial cells via A2B receptors. 2′,3′-cAMP and 3′-AMP represent a new unexplored pathway for adenosine-based cell regulation.