DHODH-IN-9

Category	Influenza Virus
CAS	1644156-41-1
Description	DHODH-IN-9, an azine-bearing analogue, is a human dihydroorotate dehydrogenase inhibitor with antiviral effect (pMIC50 = 7.4).

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Synonyms	5-Cyclopropyl-2-[4-(2-fluorobenzyl)-3-isopropoxy-5-methyl-1H-pyrazol-1-yl]pyrimidine; hDHODH-IN-7; Pyrimidine, 5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-(1-methylethoxy)-1H-pyrazol-1-yl]-
IUPAC Name	5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
Molecular Weight	366.43
Molecular Formula	C21H23FN4O
Canonical SMILES	CC1=C(C(=NN1C2=NC=C(C=N2)C3CC3)OC(C)C)CC4=CC=CC=C4F
InChI	InChI=1S/C21H23FN4O/c1-13(2)27-20-18(10-16-6-4-5-7-19(16)22)14(3)26(25-20)21-23-11-17(12-24-21)15-8-9-15/h4-7,11-13,15H,8-10H2,1-3H3
InChIKey	HNZNVWVVPQVTKE-UHFFFAOYSA-N
Boiling Point	546.6±60.0°C at 760 mmHg
Purity	≥95%
Density	1.3±0.1 g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	Solid powder
Storage	Store at -20°C
Complexity	481
Exact Mass	366.18558953
In Vitro	DHODH-IN-9 (Compound 10k) is a corresponding pyridazine homologue from 3-chloro-6-cyclopropylpyridazine. With few variations, the pattern of antiviral effect for analogues featuring a 5-cyclopylpyridine is somehow mirroring the one seen for the 5-ethylpyrimidyl bearing homologues. DHODH-IN-9 (Compound 10k) is a good antiviral of this group of analogue.
Target	Influenza Virus; Dihydroorotate Dehydrogenase; DNA/RNA Synthesis
XLogP3-AA	4.9