6,7-dinitro-1,2,3,4-tetrahydroquinoxaline-2,3-dione

• ChemBase编号: 105100
• 分子式: C8H4N4O6
• 平均质量: 252.14056
• 单一同位素质量: 252.01308387
• SMILES: [O-][N+](=O)c1cc2c([nH]c(=O)c(=O)[nH]2)cc1[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]
• InChI: InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)
• InChIKey: RWVIMCIPOAXUDG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6,7-dinitro-1,2,3,4-tetrahydroquinoxaline-2,3-dione
• IUPAC传统名: 6,7-dinitro-1,4-dihydroquinoxaline-2,3-dione; DNQX
• 别名: DNQX; 6,7-DINITROQUINOXALINE-2,3-DIONE; 6,7-Dinitroquinoxaline-2,3(1H,4H)-dione; DNQX

登记号

• CAS号: 2379-57-9
• MDL号: MFCD00069257
• PubChem SID: 24277973; 162091998
• PubChem CID: 3899541

理论计算性质

• Acid pKa: 9.7551155
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): 0.51155186
• LogD (pH = 7.4): 0.5097573
• Log P: 0.5115748
• 摩尔折射率: 59.5846 cm^3
• 极化性: 19.860077 Å^3
• 极化表面积: 149.84 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: > 300°C

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 相关基因信息: human ... GRIA1(2890), GRIA2(2891), GRIK1(2897), GRIK2(2898), GRIK3(2899), GRIK4(2900), GRIK5(2901)mouse ... Gria1(14799)rat ... Gria1(50592), Grik1(29559), Grik4(24406), Grin2a(24409)

产品相关信息

• 纯度: >98%; ≥98% (TLC)

详细说明

MP Biomedicals - 02158807

Purity: >98%
Selective non-NMDA receptor antagonist.

Sigma Aldrich - D0540

Biochem/physiol Actions
A competitive kainate, quisqualate (non-NMDA) glutamate receptor antagonist.

参考文献

• Honore, T., et al., Science , 241 : 701 (1988).