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Home > Nitro Compounds > 5401-94-5
5401-94-5 | 1H-Indazole, 5-nitro-
CAS No: 5401-94-5 Catalog No: AG00I9N6 MDL No:MFCD00005693
Product Description
Catalog Number:
AG00I9N6
Chemical Name:
1H-Indazole, 5-nitro-
CAS Number:
5401-94-5
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD00005693
IUPAC Name:
5-nitro-1H-indazole
InChI:
InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)
InChI Key:
WSGURAYTCUVDQL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cn[nH]2
EC Number:
226-451-5
UNII:
235Y7P37ZD
NSC Number:
5032
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Validation of a modified fluorimetric assay for the screening of trichomonacidal drugs. | Memorias do Instituto Oswaldo Cruz 20120801 |
| Discovery of nitroheterocycles active against African trypanosomes. In vitro screening and preliminary SAR studies. | Bioorganic & medicinal chemistry letters 20120715 |
| Inhibition of the bioactivation of the neurotoxin MPTP by antioxidants, redox agents and monoamine oxidase inhibitors. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20110801 |
| Selective electrochemical discrimination between dopamine and phenethylamine-derived psychotropic drugs using electrodes modified with an acyclic receptor containing two terminal 3-alkoxy-5-nitroindazole rings. | The Analyst 20100601 |
| ESR and electrochemical study of 1,2-disubstituted 5-nitroindazolin-3-ones and 2-substituted 3-alkoxy-5-nitro-2H-indazoles: reactivity and free radical production capacity in the presence of biological systems. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100101 |
| New potent 5-nitroindazole derivatives as inhibitors of Trypanosoma cruzi growth: synthesis, biological evaluation, and mechanism of action studies. | Bioorganic & medicinal chemistry 20091215 |
| Nitroindazole compounds inhibit the oxidative activation of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) neurotoxin to neurotoxic pyridinium cations by human monoamine oxidase (MAO). | Free radical research 20091001 |
| Fluorinated indazoles as novel selective inhibitors of nitric oxide synthase (NOS): synthesis and biological evaluation. | Bioorganic & medicinal chemistry 20090901 |
| Molecular encapsulation of 5-nitroindazole derivatives in 2,6-dimethyl-beta-cyclodextrin: electrochemical and spectroscopic studies. | Bioorganic & medicinal chemistry 20090701 |
| Study of 5-nitroindazoles' anti-Trypanosoma cruzi mode of action: electrochemical behaviour and ESR spectroscopic studies. | European journal of medicinal chemistry 20090401 |
| In vitro and in vivo antitrypanosomatid activity of 5-nitroindazoles. | European journal of medicinal chemistry 20090301 |
| Comparative spectroscopic and electrochemical study of nitroindazoles: 3-alcoxy, 3-hydroxy and 3-oxo derivatives. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080801 |
| Characterization, phase-solubility, and molecular modeling of inclusion complex of 5-nitroindazole derivative with cyclodextrins. | Bioorganic & medicinal chemistry 20080501 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| ESR and electrochemical study of 5-nitroindazole derivatives with antiprotozoal activity. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060101 |
| Synthesis and biological properties of new 5-nitroindazole derivatives. | Bioorganic & medicinal chemistry 20050502 |
| Conformational changes in nitric oxide synthases induced by chlorzoxazone and nitroindazoles: crystallographic and computational analyses of inhibitor potency. | Biochemistry 20021126 |
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