NUCC-0000323 is a potent superoxide dismutase 1 (SOD1) inhibitor. NUCC-0000323 inhibits SOD1 expression. NUCC-0000323 may be used in amyotrophic lateral sclerosis (ALS) research.

Physicochemical Properties

Molecular Formula	C15H13BRN4S
Molecular Weight	361.26
Exact Mass	360.004
CAS #	663212-78-0
PubChem CID	1296639
Appearance	Off-white to light yellow solid powder
Density	1.5±0.1 g/cm3
Boiling Point	560.8±60.0 °C at 760 mmHg
Flash Point	292.9±32.9 °C
Vapour Pressure	0.0±1.5 mmHg at 25°C
Index of Refraction	1.697
LogP	4.15
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	21
Complexity	319
Defined Atom Stereocenter Count	0
InChi Key	CZQKLBYEPOIHMC-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H13BrN4S/c1-20-14(12-6-8-17-9-7-12)18-19-15(20)21-10-11-2-4-13(16)5-3-11/h2-9H,10H2,1H3
Chemical Name	4-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
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 Note: This product requires protection from light (avoid light exposure) during transportation and storage.
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

[1]. Small molecule inhibitors of superoxide dismutase expression. US20150210679A1.

Solubility Data

Solubility (In Vitro)

DMSO: 125 mg/mL (346.01 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.76 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 20.8 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: ≥ 2.08 mg/mL (5.76 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 20.8 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: ≥ 2.08 mg/mL (5.76 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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.7681 mL	13.8404 mL	27.6809 mL
	5 mM	0.5536 mL	2.7681 mL	5.5362 mL
	10 mM	0.2768 mL	1.3840 mL	2.7681 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.