Nifenazone (Nicodon, Nicodone, Nicofesone) is a pyrazole-based anti-inflammatory drug used for treating a wide range of rheumatic conditions, also used as an analgesic.

Physicochemical Properties

Molecular Formula	C17H16N4O2
Molecular Weight	308.33454
Exact Mass	308.127
CAS #	2139-47-1
PubChem CID	4487
Appearance	Light yellow to yellow solid powder
Density	1.33g/cm3
Melting Point	252-253° (also reported as mp 256-258°)
Index of Refraction	1.671
LogP	2.204
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Complexity	511
Defined Atom Stereocenter Count	0
SMILES	O=C(C1=CC=CN=C1)NC2=C(C)N(C)N(C3=CC=CC=C3)C2=O
InChi Key	BRZANEXCSZCZCI-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H16N4O2/c1-12-15(19-16(22)13-7-6-10-18-11-13)17(23)21(20(12)2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22)
Chemical Name	N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyridine-3-carboxamide
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

References	: The solvatochromic, spectral, and geometrical properties of nifenazone: a DFT/TD-DFT and experimental study. Phys Chem Chem Phys. 2014 Aug 7;16(29):15519-26.
Additional Infomation	Nifenazone is a ring assembly and a member of pyrazoles.

Solubility Data

Solubility (In Vitro)

DMSO : ~16.67 mg/mL (~54.07 mM) H2O : ~2 mg/mL (~6.49 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.67 mg/mL (5.42 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 is to be prepared, you can add 100 μL of 16.7 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1.67 mg/mL (5.42 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 16.7 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 1.67 mg/mL (5.42 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 16.7 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 2 mg/mL (6.49 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.2433 mL	16.2164 mL	32.4328 mL
	5 mM	0.6487 mL	3.2433 mL	6.4866 mL
	10 mM	0.3243 mL	1.6216 mL	3.2433 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.