(2-{8,9-dioxo-2,6-diazabicyclo[5.2.0]nonan-2-yl}ethyl)phosphonic acid

• ChemBase编号: 153287
• 分子式: C9H15N2O5P
• 平均质量: 262.199561
• 单一同位素质量: 262.07185822
• SMILES: C1CNC2C(C(=O)C2=O)N(C1)CCP(=O)(O)O
• Canonical SMILES: O=C1C(=O)C2C1NCCCN2CCP(=O)(O)O
• InChI: InChI=1S/C9H15N2O5P/c12-8-6-7(9(8)13)11(3-1-2-10-6)4-5-17(14,15)16/h6-7,10H,1-5H2,(H2,14,15,16)
• InChIKey: QGGOFUZYYGMLDO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-{8,9-dioxo-2,6-diazabicyclo[5.2.0]nonan-2-yl}ethyl)phosphonic acid
• IUPAC传统名: 2-{8,9-dioxo-2,6-diazabicyclo[5.2.0]nonan-2-yl}ethylphosphonic acid
• 别名: P-[2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)ethyl]-phosphonic acid; WAY-126090; EAA-090

登记号

• CAS号: 144912-63-0
• MDL号: MFCD00912427
• PubChem SID: 162247426
• PubChem CID: 68739521

理论计算性质

• Acid pKa: 1.2461336
• 质子受体: 7
• 质子供体: 3
• LogD (pH = 5.5): -2.856061
• LogD (pH = 7.4): -3.408593
• Log P: -2.8688633
• 摩尔折射率: 58.8549 cm^3
• 极化性: 23.44775 Å^3
• 极化表面积: 106.94 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: ≥2 mg/mL
• 外观: light yellow to yellow powder

安全信息

• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C9H13N2O5P

详细说明

Sigma Aldrich - SML0206

Biochem/physiol Actions
EAA-090 is a potent NMDA receptor antagonist with neuroprotective properties. In isoflurane-anesthetized dogs, EAA-090 reduces the minimum alveolar concentration (MAC) of isoflurane and increases systolic, mean, and diastolic arterial blood pressure.