PF-9363 (CTx-648) is a first-in-class, highly efficient and selective KAT6A/KAT6B inhibitor. PF-9363 may be used in cancer-related research.

Physicochemical Properties

Molecular Formula	C20H20N4O6S
Molecular Weight	444.461003303528
Exact Mass	444.11
CAS #	2569009-58-9
PubChem CID	155411202
Appearance	White to off-white solid powder
LogP	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Heavy Atom Count	31
Complexity	680
Defined Atom Stereocenter Count	0
SMILES	S(C1C(=CC=CC=1OC)OC)(NC1C2C(=CC(CN3C=CC=N3)=CC=2ON=1)OC)(=O)=O
InChi Key	VNSQFPFWUAZOTQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H20N4O6S/c1-27-14-6-4-7-15(28-2)19(14)31(25,26)23-20-18-16(29-3)10-13(11-17(18)30-22-20)12-24-9-5-8-21-24/h4-11H,12H2,1-3H3,(H,22,23)
Chemical Name	2,6-dimethoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
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	The H3K23Ac biomarker is down-regulated in ZR75-1, T47D, and MCF7 cells when exposed to PF-9363 (0~1 μM; 1 day) [1]. A subset of genes implicated in the ESR1 pathway, cell cycle, and stem cell pathways are downregulated by PF-9363. ZR75-1 and T47D had IC50 values of 0.3 nM and 0.9 nM in PF-9363[1].
ln Vivo	PF-9363 revealed strong anticancer efficacy in patient-derived xenograft models [1].
Cell Assay	Western Blot analysis [1] Cell Types: ZR75-1, T47D and MCF7 cells Tested Concentrations: 0~1 μM Incubation Duration: 1 day Experimental Results: The expression of H3K23Ac biomarker was down-regulated.
References	[1]. First-in-class KAT6A/KAT6B Inhibitor CTx-648 (PF-9363) Demonstrates Potent Anti-tumor Activity in ER+ Breast Cancer with KAT6A Dysregulation. [2]. WO2020254946.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~112.50 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.68 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 20.8 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: 2.08 mg/mL (4.68 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 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: ≥ 2.08 mg/mL (4.68 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	2.2499 mL	11.2496 mL	22.4992 mL
	5 mM	0.4500 mL	2.2499 mL	4.4998 mL
	10 mM	0.2250 mL	1.1250 mL	2.2499 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.