OICR-0547 (OICR 0547; OICR0547), an OICR-9429 analog, is an antagonist of the protein protein interaction between WDR5 and the peptide regions of MLL and Histone 3 with potential antineoplastic activity. It shows potent anti-proliferative activity in vitro against p30-expressing human AML cells.

Physicochemical Properties

Molecular Formula	C28H29F3N4O4
Molecular Weight	542.549477338791
Exact Mass	542.214
CAS #	1801873-49-3
Related CAS #	1801873-49-3
PubChem CID	91801179
Appearance	Off-white to light yellow solid powder
LogP	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Heavy Atom Count	39
Complexity	944
Defined Atom Stereocenter Count	0
SMILES	FC(C1=CC(NC=C1C(NC1=CC(=CC=C1N1CCOCC1)C1=CC=CC(=C1)CN1CCOCC1)=O)=O)(F)F
InChi Key	RFHOOFYUTGZPFH-UHFFFAOYSA-N
InChi Code	InChI=1S/C28H29F3N4O4/c29-28(30,31)23-16-26(36)32-17-22(23)27(37)33-24-15-21(4-5-25(24)35-8-12-39-13-9-35)20-3-1-2-19(14-20)18-34-6-10-38-11-7-34/h1-5,14-17H,6-13,18H2,(H,32,36)(H,33,37)
Chemical Name	N-[2-morpholin-4-yl-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
Synonyms	OICR-0547;OICR0547;OICR 0547
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	WDR5 is not bound by OICR-0547[1]. OICR-0547 (0.1-100 μM) does not affect the viability of cells[1].
ln Vivo	In NOD-SCID mice, OICR-0547 (iv, ip; 3, 30 mg/kg) is an appropriate negative control[2].
Cell Assay	Cell Viability Assay[1] Cell Types: K562 cells and Cebpa p30/p30cells Tested Concentrations: 0.1 -100 μM Incubation Duration: Experimental Results: Induced non-selective toxicity at high doses in both cell types.
Animal Protocol	Animal/Disease Models: NOD-SCID (severe combined immunodeficient) mouse (female)[2] Doses: 3, 30 mg/kg Route of Administration: IV, IP Experimental Results: Served as a suitable negative control for biological experiments.
References	[1]. Pharmacological targeting of the Wdr5-MLL interaction in C/EBPα N-terminal leukemia. Nat Chem Biol. 2015 Aug;11(8):571-578. [2]. Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J Med Chem. 2016 Mar 24;59(6):2478-96.
Additional Infomation	OICR-0547 is an aromatic amide.

Solubility Data

Solubility (In Vitro)

DMSO:>10mM Water:N/A Ethanol:N/A

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.61 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.61 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (4.61 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	1.8431 mL	9.2157 mL	18.4315 mL
	5 mM	0.3686 mL	1.8431 mL	3.6863 mL
	10 mM	0.1843 mL	0.9216 mL	1.8431 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.