IOWH032

Category	SARS-CoV
CAS	1191252-49-9
Description	iOWH-032 is a novel and potent CFTR inhibitor (IC50=1.01 uM) in T84 and CHO-CFTR cell based assays.

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Synonyms	iOWH-032; IOWH032; IOWH 032
IUPAC Name	3-(3,5-dibromo-4-hydroxyphenyl)-N-[(4-phenoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Molecular Weight	545.187
Molecular Formula	C22H15Br2N3O4
Canonical SMILES	C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=C4C=C(C(=O)C(=C4)Br)Br)NO3
InChI	InChI=1S/C22H15Br2N3O4/c23-17-10-14(11-18(24)19(17)28)20-26-22(31-27-20)21(29)25-12-13-6-8-16(9-7-13)30-15-4-2-1-3-5-15/h1-11,27H,12H2,(H,25,29)
InChIKey	CABYWQOCCVFNHX-UHFFFAOYSA-N
Purity	0.99
Density	1.7±0.1 g/cm3
Solubility	In Vitro: DMSO : ≥ 100 mg/mL(183.43 mM) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 2.5 mg/mL (4.59 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.5 mg/mL (4.59 mM); Clear solution
Appearance	white to off-white solid powder
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Complexity	575
Exact Mass	544.94088
Index Of Refraction	1.665
In Vitro	IOWH-032 (10 µM; 0-72 h) increases the ACE-2 expression in SARS-CoV-2 infected CFBE41o- WT cells.
PSA	97.22000
Target	CFTR; SARS-CoV
XLogP3-AA	5.5