NSC639828 is a selective inhibitor of DNA polymerase α with an IC50 of 70 μM. NSC639828 exhibits strong antitumor properties. NSC639828 may be useful for researching cancer-related conditions.

Physicochemical Properties

Molecular Formula	C18H13BRCLN5O3
Molecular Weight	462.68
Exact Mass	460.989
Elemental Analysis	C, 46.73; H, 2.83; Br, 17.27; Cl, 7.66; N, 15.14; O, 10.37
CAS #	134742-26-0
PubChem CID	368696
Appearance	Solid powder
Density	1.663g/cm3
Index of Refraction	1.708
LogP	5.274
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	28
Complexity	549
Defined Atom Stereocenter Count	0
SMILES	NC1C=CC=CC=1C(NC(NC1C=CC(OC2N=CC(Br)=CN=2)=C(Cl)C=1)=O)=O
InChi Key	LRPFTPYFADHGQJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H13BrClN5O3/c19-10-8-22-18(23-9-10)28-15-6-5-11(7-13(15)20)24-17(27)25-16(26)12-3-1-2-4-14(12)21/h1-9H,21H2,(H2,24,25,26,27)
Chemical Name	2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]benzamide
Synonyms	NSC-639828; NSC639828; NSC 639828
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 Note: This product requires protection from light (avoid light exposure) during transportation and storage.
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

Targets	DNA polymerase α
References	[1]. Effect of novel benzoylphenylurea derivatives on DNA polymerase alpha activity using the synthesome-based in vitro model system. Invest New Drugs. 2003;21(4):421-428.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~216.1 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.40 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	2.1613 mL	10.8066 mL	21.6132 mL
	5 mM	0.4323 mL	2.1613 mL	4.3226 mL
	10 mM	0.2161 mL	1.0807 mL	2.1613 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.