NSC 694623 is a potent histone acetyltransferase (HAT) inhibitor (antagonist) with IC50 of 15.9 μM for recombinant HAT p300/CBP-associated factor (PCAF). NSC 694623 has antiproliferation activity against certain cancer/tumor cells. NSC 694623 may be used in anti-cancer research.

Physicochemical Properties

Molecular Formula	C16H16N2OS
Molecular Weight	284.376042366028
Exact Mass	284.098
CAS #	907957-34-0
PubChem CID	393169
Appearance	Off-white to light yellow solid powder
LogP	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	20
Complexity	341
Defined Atom Stereocenter Count	0
SMILES	O=C1N(C2C=CC(CCCC)=CC=2)SC2C1=CC=CN=2
InChi Key	XNGPPEMGIZDPGJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C16H16N2OS/c1-2-3-5-12-7-9-13(10-8-12)18-16(19)14-6-4-11-17-15(14)20-18/h4,6-11H,2-3,5H2,1H3
Chemical Name	2-(4-butylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
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	NSC 694623 inhibits HCT116 by 21% at 25 μM and shows anti-proliferative action against SK-N-SH with an IC50 of 8.93 μM [1].
References	[1]. Synthesis and biological testing of novel pyridoisothiazolones as histone acetyltransferase inhibitors. Bioorg Med Chem. 2011 Jun 15;19(12):3678-89.

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~439.55 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (7.31 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 (7.31 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	3.5164 mL	17.5821 mL	35.1642 mL
	5 mM	0.7033 mL	3.5164 mL	7.0328 mL
	10 mM	0.3516 mL	1.7582 mL	3.5164 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.