JNJ-9350 is an inhibitor (blocker/antagonist) of spermine oxidase (SMOX) with IC50 of 0.01 μM. JNJ-9350 inhibits polyamine oxidase (PAO) with IC50 of 0.79 μM. JNJ-9350 may be used in cancer research.

Physicochemical Properties

Molecular Formula	C25H22N6O
Molecular Weight	422.482
Exact Mass	422.185
CAS #	326923-09-5
PubChem CID	3113005
Appearance	White to light brown solid powder
LogP	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	32
Complexity	605
Defined Atom Stereocenter Count	0
SMILES	C1N=CN(CCCNC(C2C=C3N(C(=CC(=N3)C3=CC=CC=C3)C3=CC=CC=C3)N=2)=O)C=1
InChi Key	RIGHCDSORZCRDE-UHFFFAOYSA-N
InChi Code	InChI=1S/C25H22N6O/c32-25(27-12-7-14-30-15-13-26-18-30)22-17-24-28-21(19-8-3-1-4-9-19)16-23(31(24)29-22)20-10-5-2-6-11-20/h1-6,8-11,13,15-18H,7,12,14H2,(H,27,32)
Chemical Name	N-(3-imidazol-1-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-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

Targets	IC50: 10 nM (SMOX), 790 nM (PAO), ＞60 μM (LSD1)[1]
ln Vitro	SMOX, PAO, and LSD1 have inhibitory effects when exposed to JNJ-9350 (0-100 μM), with IC50 values of 10 nM, 790 nM, and >60 μM, respectively[1]. The binding between SMOX and JNJ-9350 (1.1-70 μM) has a Ki value of 9.9 nM [1].
ln Vivo	1.19 JNJ-9350's Pharmacokinetic Properties in Mice [1]. Mice PO 10 milligrams per kilogram Total/Unbound Clearance (mL/min/kg): 73/5217 Distribution volume (L/kg) 1.7 Half-life in minutes 16 Mouse PPB 98.6% Oral F%: 34%
References	[1]. SMOx PROBE PROPOSAL.

Solubility Data

Solubility (In Vitro)

DMSO : 5 mg/mL (11.83 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.5 mg/mL (1.18 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 5.0 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: 0.5 mg/mL (1.18 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 5.0 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: ≥ 0.5 mg/mL (1.18 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 5.0 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	2.3670 mL	11.8349 mL	23.6698 mL
	5 mM	0.4734 mL	2.3670 mL	4.7340 mL
	10 mM	0.2367 mL	1.1835 mL	2.3670 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.