NSC61610 disrupts the binding of hIL-18 to ectromelia virus IL-18BP. NSC61610 inhibits hIL-18:ectvIL-18BP complex formation with IC50 of about 6 uM.

Physicochemical Properties

Molecular Formula	C34H24N6O2
Molecular Weight	548.593366622925
Exact Mass	548.196
CAS #	500538-94-3
PubChem CID	247228
Appearance	White to off-white solid powder
LogP	6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	42
Complexity	865
Defined Atom Stereocenter Count	0
SMILES	C1(C(NC2=CC=CC(C3NC4=CC=CC=C4N=3)=C2)=O)=CC=C(C(NC2=CC=CC(C3NC4=CC=CC=C4N=3)=C2)=O)C=C1
InChi Key	WSXIJTIFOWCMIQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C34H24N6O2/c41-33(35-25-9-5-7-23(19-25)31-37-27-11-1-2-12-28(27)38-31)21-15-17-22(18-16-21)34(42)36-26-10-6-8-24(20-26)32-39-29-13-3-4-14-30(29)40-32/h1-20H,(H,35,41)(H,36,42)(H,37,38)(H,39,40)
Chemical Name	1-N,4-N-bis[3-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
Synonyms	NSC 61610; NSC-61610; NSC61610
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

ln Vitro	By using virtual screening, NSC61610's anticipated Ki value between β-strands β5 and β8 is 88 nM [1]. With an IC50 of 6 uM, NSC61610 inhibits the formation of the hIL-18:ectvIL-18BP complex[1].
References	[1]. Identification of small molecule inhibitors of Interleukin-18. Sci Rep. 2017 Mar 28;7(1):483.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~182.29 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.56 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 25.0 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	1.8229 mL	9.1143 mL	18.2285 mL
	5 mM	0.3646 mL	1.8229 mL	3.6457 mL
	10 mM	0.1823 mL	0.9114 mL	1.8229 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.