SKLB 197 is a novel and potent ATR inhibitor (IC50 =0.013 μM). In the search for new drugs that target ATR, SKLB-197 appears to be a promising lead compound.

Physicochemical Properties

Molecular Formula	C25H24N6O
Molecular Weight	424.50
Exact Mass	424.2
Elemental Analysis	C, 70.73; H, 5.70; N, 19.80; O, 3.77
CAS #	2713577-16-1
PubChem CID	162641668
Appearance	White to light yellow solid powder
LogP	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	32
Complexity	650
Defined Atom Stereocenter Count	1
SMILES	C[C@@H]1COCCN1C2=NC(=NC3=C2C=C(C=C3)C4=CC=NN4C)C5=C6C=CNC6=CC=C5
InChi Key	FCNFJRRMUAOHKI-MRXNPFEDSA-N
InChi Code	InChI=1S/C25H24N6O/c1-16-15-32-13-12-31(16)25-20-14-17(23-9-11-27-30(23)2)6-7-22(20)28-24(29-25)19-4-3-5-21-18(19)8-10-26-21/h3-11,14,16,26H,12-13,15H2,1-2H3/t16-/m1/s1
Chemical Name	(3R)-4-[2-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)quinazolin-4-yl]-3-methylmorpholine
Synonyms	SKLB 197; SKLB-197; SKLB197
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

Targets	ATR ( IC50 = 0.013 μM )
References	[1]. Discovery of a potent and highly selective inhibitor of ataxia telangiectasia mutated and Rad3-Related (ATR) kinase: Structural activity relationship and antitumor activity both in vitro and in vivo. Eur J Med Chem. 2022 Feb 12;232:114187.

Solubility Data

Solubility (In Vitro)

DMSO: 85~100 mg/mL (200.2~235.6 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.89 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.3557 mL	11.7786 mL	23.5571 mL
	5 mM	0.4711 mL	2.3557 mL	4.7114 mL
	10 mM	0.2356 mL	1.1779 mL	2.3557 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.