5-Nitroindazole - CAS 5401-94-5
Catalog: |
BB028462 |
Product Name: |
5-Nitroindazole |
CAS: |
5401-94-5 |
Synonyms: |
5-nitro-1H-indazole |
IUPAC Name: | 5-nitro-1H-indazole |
Description: | 5-Nitroindazole inhibits citrulline formation by Ca2+-calmodulin (CaM)-dependent nitric oxide synthase from bovine brain. Nitration of 5-nitroindazole with nitric acid and acetic anhydride yields 3,5-dintroindazole and 2,5-dinitroindazole. |
Molecular Weight: | 163.13 |
Molecular Formula: | C7H5N3O2 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])C=NN2 |
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 |
Boiling Point: | 383.3 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.525 g/cm3 |
Solubility: | 14.2 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | Yellow odorless powder |
MDL: | MFCD00005693 |
LogP: | 1.99430 |
Vapor Pressure: | 0.0000128 [mmHg] |
GHS Hazard Statement: | H302 (89.58%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112500381-A | Dehydroazeocin C derivative and preparation method and application thereof | 20201215 |
US-2021301175-A1 | Polishing composition | 20200330 |
WO-2021127707-A1 | Microbial ester production | 20191219 |
WO-2021088859-A1 | Indazole compound, pharmaceutical composition of same, and applications thereof | 20191106 |
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PMID | Publication Date | Title | Journal |
22850954 | 20120801 | Validation of a modified fluorimetric assay for the screening of trichomonacidal drugs | Memorias do Instituto Oswaldo Cruz |
22738640 | 20120715 | Discovery of nitroheterocycles active against African trypanosomes. In vitro screening and preliminary SAR studies | Bioorganic & medicinal chemistry letters |
21554916 | 20110801 | 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 |
20407681 | 20100601 | 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 |
19942477 | 20100101 | 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 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.038176411 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.038176411 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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