nNOS-IN-1(Compound 14) is an inhibitor of nitric oxide synthase (NOS), showing inhibitory activity against neuronal, inducible and endothelial NOS with IC50 of 2.5, 5.7 and 13 μM, respectively.

Physicochemical Properties

Molecular Formula	C8H4BRN3
Molecular Weight	222.04
Exact Mass	220.959
CAS #	945762-00-5
PubChem CID	44585510
Appearance	Solid powder
Density	1.85g/cm3
Boiling Point	425.3ºC at 760 mmHg
Index of Refraction	1.739
LogP	2.197
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Complexity	222
Defined Atom Stereocenter Count	0
SMILES	N#CC1C2=C(C(=NN2)Br)C=CC=1
InChi Key	MRGZUAUMTMLMTE-UHFFFAOYSA-N
InChi Code	InChI=1S/C8H4BrN3/c9-8-6-3-1-2-5(4-10)7(6)11-12-8/h1-3H,(H,11,12)
Chemical Name	3-bromo-2H-indazole-7-carbonitrile
Synonyms	7-Cyano-3-bromo-1H-indazole
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	nNOS 2.5 μM (IC50) iNOS 5.7 μM (IC50) eNOS 13 μM (IC50)
References	[1]. Inhibitory effects of a series of 7-substituted-indazoles toward nitric oxide synthases: particular potency of 1H-indazole-7-carbonitrile. Bioorg Med Chem. 2008 Jun 1;16(11):5962-73.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (450.37 mM; with sonication)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (11.26 mM)(Saturation unknown) in 10% DMSO 40% PEG300 5% Tween-80 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution, add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix well; then add 50 μL Tween-80 to the above system and mix well; then add 450 μL saline to make up to 1 mL. *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.5037 mL	22.5185 mL	45.0369 mL
	5 mM	0.9007 mL	4.5037 mL	9.0074 mL
	10 mM	0.4504 mL	2.2518 mL	4.5037 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.