hDHODH-IN-3 is an inhibitor (blocker/antagonist) of human dihydroorotate dehydrogenase (HsDHODH) and can inhibit measles virus replication with a pMIC50 of 8.6.

Physicochemical Properties

Molecular Formula	C18H19BRN4O2
Molecular Weight	403.2731
Exact Mass	402.069
CAS #	1644156-80-8
PubChem CID	118430627
Appearance	White to off-white solid powder
LogP	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	25
Complexity	409
Defined Atom Stereocenter Count	0
SMILES	BrC1=C([H])C([H])=C([H])C([H])=C1OC1C(=NN(C2=NC([H])=C(C([H])=N2)C([H])([H])C([H])([H])[H])C=1C([H])([H])[H])OC([H])([H])C([H])([H])[H]
InChi Key	SNDPFEDGFPXNIX-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H19BrN4O2/c1-4-13-10-20-18(21-11-13)23-12(3)16(17(22-23)24-5-2)25-15-9-7-6-8-14(15)19/h6-11H,4-5H2,1-3H3
Chemical Name	2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-ethylpyrimidine
Synonyms	DHODHIN2; DHODH IN 2
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

References

[1]. Original 2-(3-Alkoxy-1H-pyrazol-1-yl)azines Inhibitors of Human Dihydroorotate Dehydrogenase (DHODH).J Med Chem. 2015 Jul 23;58(14):5579-98.

Solubility Data

Solubility (In Vitro)

DMSO : ~33.33 mg/mL (~82.65 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.20 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	2.4797 mL	12.3986 mL	24.7973 mL
	5 mM	0.4959 mL	2.4797 mL	4.9595 mL
	10 mM	0.2480 mL	1.2399 mL	2.4797 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.