disodium 6-nitro-7-sulfamoylbenzo[f]quinoxaline-2,3-bis(olate) hydrate

• ChemBase编号: 106023
• 分子式: C12H8N4Na2O7S
• 平均质量: 398.25906
• 单一同位素质量: 397.99090818
• SMILES: O.[Na+].[Na+].NS(=O)(=O)c1cccc2c3nc([O-])c([O-])nc3cc(c12)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc2nc([O-])c(nc2c2c1c(ccc2)S(=O)(=O)N)[O-].O.[Na+].[Na+]
• InChI: InChI=1S/C12H8N4O6S.2Na.H2O/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6;;;/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22);;;1H2/q;2*+1;/p-2
• InChIKey: LQSCHRKYVVVUFA-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 6-nitro-7-sulfamoylbenzo[f]quinoxaline-2,3-bis(olate) hydrate
• IUPAC传统名: disodium 6-nitro-7-sulfamoylbenzo[f]quinoxaline-2,3-bis(olate) hydrate; dipotassium 6-nitro-7-sulfamoylbenzo[f]quinoxaline-2,3-bis(olate) hydrate
• 别名: 1,2,3,4-Tetrahydro-6-nitro-2,3-dioxo-benzo[f]quinoxaline-7-sulfonamide disodium salt hydrate; FG 9202 disodium salt hydrate; NBQX disodium salt hydrate; NBQX

登记号

• CAS号: 118876-58-7(freeacid); 118876-58-7
• MDL号: MFCD12910445
• PubChem SID: 162092863; 24277996
• PubChem CID: 44134842

理论计算性质

• Acid pKa: 9.087993
• 质子受体: 8
• 质子供体: 1
• LogD (pH = 5.5): 1.4162474
• LogD (pH = 7.4): 1.4078938
• Log P: 1.4163545
• 摩尔折射率: 99.0726 cm^3
• 极化性: 31.46992 Å^3
• 极化表面积: 177.88 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

• 溶解度: H2O: >10 mg/mL
• 外观: , brown to dark red-brown lyophilized solid

安全信息

• 保存条件: desiccated
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: human ... GRIA1(2890), GRIA2(2891), GRIA3(2892), GRIA4(2893), GRIK1(2897), GRIK2(2898), GRIK3(2899), GRIK4(2900), GRIK5(2901)

产品相关信息

• 纯度: ≥95%; ≥98% (HPLC)

详细说明

MP Biomedicals - 02195945

(FG 9202; 6-Nitro-7-sulphamoylbenzo[f]quinoxaline-2,3-dione; 2,3-Dihydroxy-6-nitro-7-sulphamoylbenzo[f]quinoxaline)
Purity: ≥95%
Selective and potent AMPA/Kainate receptor antagonist. Acts as a neuroprotectant.

Sigma Aldrich - N183

Biochem/physiol Actions
NBQX disodium salt hydrate is a neuroprotective AMPA/kainate glutamate receptor antagonist.