QM385 is a potent inhibitor of hypoglycemia reductase (SPR) with IC50 of 1.49 nM and blocks T cell proliferation/growth and autoimmunity with nanomolar potency and good oral bioavailability (F).

Physicochemical Properties

Molecular Formula	C17H18F3N7O2
Molecular Weight	409.37
Exact Mass	409.147
CAS #	2093421-02-2
PubChem CID	137049058
Appearance	Typically exists as solid at room temperature
Density	1.59±0.1 g/cm3(Predicted)
Boiling Point	586.1±60.0 °C(Predicted)
LogP	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	29
Complexity	693
Defined Atom Stereocenter Count	0
SMILES	FC(CN1CCN(C(C2C=NN(C3=NN4C=CC=C4C(N3)=O)C=2C)=O)CC1)(F)F
InChi Key	GPMQVMCLRRPIIE-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H18F3N7O2/c1-11-12(15(29)25-7-5-24(6-8-25)10-17(18,19)20)9-21-27(11)16-22-14(28)13-3-2-4-26(13)23-16/h2-4,9H,5-8,10H2,1H3,(H,22,23,28)
Chemical Name	2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-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

Targets	IC50: 1.49 nM (Sepiapterin reductase)[1]
ln Vitro	At modest concentrations, QM385 efficiently suppresses human CD4+ T cell proliferation[1].
References	[1]. Cronin SJF, et al. The metabolite BH4 controls T cell proliferation in autoimmunity and cancer. Nature. 2018 Nov;563(7732):564-568.

Solubility Data

Solubility (In Vitro)

DMSO: 125 mg/mL (305.35 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.08 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	2.4428 mL	12.2139 mL	24.4278 mL
	5 mM	0.4886 mL	2.4428 mL	4.8856 mL
	10 mM	0.2443 mL	1.2214 mL	2.4428 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.