Home > Compound List > Compound details
115066-14-3 molecular structure
click picture or here to close

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

ChemBase ID: 92961
Molecular Formular: C9H4N4O4
Molecular Mass: 232.15246
Monoisotopic Mass: 232.02325463
SMILES and InChIs

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

Cite this record

CBID:92961 http://www.chembase.cn/molecule-92961.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
IUPAC Traditional name
CNQX
Synonyms
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
CAS Number
115066-14-3
MDL Number
MFCD00069232
PubChem SID
24892392
162079659
PubChem CID
3721046

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.868097  H Acceptors
H Donor LogD (pH = 5.5) 0.4276691 
LogD (pH = 7.4) 0.42628488  Log P 0.42768678 
Molar Refractivity 57.9815 cm3 Polarizability 19.62026 Å3
Polar Surface Area 127.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Dilute Aqueous Base expand Show data source
DMSO expand Show data source
DMSO: >10 mg/mL expand Show data source
H2O: insoluble expand Show data source
Apperance
Pale Yellow Solid expand Show data source
yellow solid expand Show data source
Melting Point
>300°C expand Show data source
Storage Condition
protect from light expand Show data source
Refrigerator expand Show data source
Room Temperature (15-30°C), Protect from light expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Gene Information
rat ... Gria1(50592), Grik1(29559), Grik2(54257), Grik4(24406), Grin2a(24409) expand Show data source
Purity
≥98% expand Show data source
≥98% (HPLC) expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02159761 external link
Purity: >98%
Potent, competitive and selective kainate/quisqualate (non-NMDA) receptor antagonist.
Apollo Scientific Ltd - OR9820T external link
A potent, competitive non-NMDA (kainate/quisqualate) receptor antagonist.
Sigma Aldrich - C127 external link
Biochem/physiol Actions
Potent, competitive AMPA/kainate glutamate receptor antagonist.
Toronto Research Chemicals - C982000 external link
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.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 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 (
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle