7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile

• ChemBase编号: 92961
• 分子式: C9H4N4O4
• 平均质量: 232.15246
• 单一同位素质量: 232.02325463
• SMILES: [nH]1c2c(cc(c(c2)C#N)[N+](=O)[O-])[nH]c(=O)c1=O
• Canonical SMILES: N#Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]
• InChI: InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)
• InChIKey: RPXVIAFEQBNEAX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
• IUPAC传统名: CNQX
• 别名: 6-Cyano-7-nitroquinoxaline-2,3-dione; 1,2,3,4-Tetrahydro-7-nitro-2,3-dioxo-6-quinoxalinecarbonitrile; 6-Cyano-2,3-dihydroxy-7-nitroquinoxaline; 6-Cyano-7-nitroquinoxaline-2,3-dione; FG-9065; CNQX; CNQX

登记号

• CAS号: 115066-14-3
• MDL号: MFCD00069232
• PubChem SID: 162079659; 24892392
• PubChem CID: 3721046

理论计算性质

• Acid pKa: 9.868097
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 0.4276691
• LogD (pH = 7.4): 0.42628488
• Log P: 0.42768678
• 摩尔折射率: 57.9815 cm^3
• 极化性: 19.62026 Å^3
• 极化表面积: 127.81 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dilute Aqueous Base; DMSO; DMSO: >10 mg/mL; H2O: insoluble
• 外观: Pale Yellow Solid; yellow solid
• 熔点: >300°C

安全信息

• 保存条件: protect from light; Refrigerator; Room Temperature (15-30°C), Protect from light
• 保存注意事项: Irritant
• 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: rat ... Gria1(50592), Grik1(29559), Grik2(54257), Grik4(24406), Grin2a(24409)

产品相关信息

• 纯度: ≥98%; ≥98% (HPLC)

详细说明

MP Biomedicals - 02159761

Purity: >98%
Potent, competitive and selective kainate/quisqualate (non-NMDA) receptor antagonist.

Apollo Scientific Ltd - OR9820T

A potent, competitive non-NMDA (kainate/quisqualate) receptor antagonist.

Sigma Aldrich - C127

Biochem/physiol Actions
Potent, competitive AMPA/kainate glutamate receptor antagonist.

Toronto Research Chemicals - C982000

A potent, competitive kainate/quisqualate (non-NMDA) receptor antagonist. IC50 of tritiated ligands to rat cortical membranes by CNQX: AMPA, Kainate and CPP are 0.3mM, 1.5mM, and 25mM, respectively.

参考文献

• Honore, et al. Science, 241, 701 (1988)
• Haas, H.S., et al.: Int. J. Oncol., 27, 867 (1988)
• Kobayashi, K., et al.: J. Pharmacol. Sci., 108, 517 (1988)
• Shabat-Simon, M., et al.: J. Neurosci., 28, 8406 (1988)
• Cruz, L.A., et al.: J. Med. Chem., 51, 5856 (