COQ7-IN-1 is a potent human coenzyme Q (COQ7) inhibitor that interferes with ubiquinone (UQ) synthesis. COQ7-IN-1 does not interfere with normal cultured cell growth. COQ7-IN-1 may be utilized to study the balance between the UQ replenishment pathway (de novo synthesis of UQ and extracellular uptake of UQ).

Physicochemical Properties

Molecular Formula	C14H10CLN3O
Molecular Weight	271.70
Exact Mass	271.051
CAS #	2579696-72-1
PubChem CID	155981996
Appearance	Off-white to light yellow solid powder
LogP	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	19
Complexity	379
Defined Atom Stereocenter Count	0
InChi Key	IRQULQWSSURBFT-UHFFFAOYSA-N
InChi Code	InChI=1S/C14H10ClN3O/c15-11-6-7-13(16-9-11)18-14(19)8-12(17-18)10-4-2-1-3-5-10/h1-9,17H
Chemical Name	2-(5-chloropyridin-2-yl)-5-phenyl-1H-pyrazol-3-one
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	With a GI50 of 19.0 μM, COQ7-IN-1 (Compound 8; 0-30 μM; for 4 days) inhibits the growth of WI-38 cells. With a GI50 of 9.0±1.1 μM, COQ7-IN-1 weakly inhibits the growth of C3A cells. By reducing oxidative stress or blocking aerobic respiration, COQ7-IN-1 does not reduce the survival of C3A cells[1]. Demethoxy-UQ (DMQ) is changed to demethyl-UQ (DMeQ) by COQ7, which is subsequently changed to UQ by COQ3. Lack of COQ7 prevents cells from producing UQ, which leads to the accumulation of DMQ. For COQ7-IN-1 (10 μM; for 2 days) cultured with HeLa cells, the DMQ10 and UQ10 contents in each culture well are 13.2 and 12.2 ng/well, respectively. In HeLa cells, the DMQ10 content of COQ7-IN-1 is 52.0%[1].
Cell Assay	Cell Viability Assay[1] Cell Types: WI-38 cells Tested Concentrations: 0-30 μM Incubation Duration: 4 days Experimental Results: The concentration that caused 50% cell growth inhibition (GI50 ) was 19.0 μM.
References	[1]. Keiko Tsuganezawa, et al. Identification of small molecule inhibitors of human COQ7. Bioorg Med Chem. 2020 Jan 1;28(1):115182.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (368.05 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (7.66 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	3.6805 mL	18.4026 mL	36.8053 mL
	5 mM	0.7361 mL	3.6805 mL	7.3611 mL
	10 mM	0.3681 mL	1.8403 mL	3.6805 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.