7-Nitro-1H-indazol

7-NITRO-1H-INDAZOLE · 7-NI · NITROINDAZOLE · 7-NITROINDAZOLE · 187-Nitroinazole · INDAZOLE, 7-NITRO- · 7-nitro-1h-indazol · 7-Nitroindazole>7-NITROINDAZOLE 97+%

https://huagongshe.com/de/chemical/1893

Identifikatoren & physikalische Daten

CAS No.	2942-42-9
Summenformel	C7H5N3O2
Durchschnittliche Molmasse	163,13 g/mol
Monoisotopische Masse	163,0381764 g/mol
SMILES	O=[N+]([O-])c1cccc2cn[nH]c12
InChIKey	PQCAUHUKTBHUSA-UHFFFAOYSA-N
PubChem CID	1893
ChEMBL	CHEMBL247378
ChEBI	CHEBI:40287
EC No.	220-934-4
DTXSID	DTXSID30183638
Lokaler Name	7-Nitro-1H-indazol

Chemische & physikalische Eigenschaften

XLogP	1,8
Polarare Oberfläche (TPSA)	74,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	192
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
Löslichkeit	>24.5 [ug/mL] (The mean of the results at pH 7.4)Soluble to 100 mM in DMSO and to 20 mM in ethanolslightly soluble
Collision Cross Section	126.82 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Schmelzpunkt	185-186°C
Siedepunkt	290.19°C (rough estimate)
Dichte	1.4141 (rough estimate)
Brechungsindex	1.5500 (estimate)
Lagerbedingungen	-20°C
pKa (Säurekonstante)	10.03±0.40(Predicted)
Aggregatzustand	powder to crystal
Farbe	Light yellow to Brown
BRN	6809
InChI	InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
InChIKey	PQCAUHUKTBHUSA-UHFFFAOYSA-N
SMILES	N1C2=C(C=CC=C2[N+]([O-])=O)C=N1
CAS Datenbank	2942-42-9(CAS DataBase Reference)
NIST chemische Informationen	7-Nitroindazole(2942-42-9)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (86.7%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 2811 6.1/PG 3
Zollcode	29339900
RTECS-Nr.	NK7962200
R-Sätze (R)	60-40
Gefahrensymbole	T
Sicherheitshinweise (S)	53-22-36/37/39-45
Gefahrenklasse	IRRITANT
Verpackungsgruppe	Ⅲ

Anwendungen & Verwendung

Beschreibung

7-Nitroindazole is a non-selective inhibitor of NOS isoforms in vitro. However, it shows good anti-nociceptive effects in vivo without affecting blood pressure via inhibition of eNOS. The IC50 values for inhibition of rat nNOS, bovine eNOS, and rat iNOS are 0.71, 0.78, and 5.8 μM, respectively.

Verwenden

7-nitroindazole is a specific inhibitor of neural nitric oxide synthase (nNOS), an enzyme that converts arginine to citrulline and nitric oxide (NO) in neuronal tissue. NO is a key player in the hippocampal long-term potentiation (LTP) and in general cell signaling.