CAL-130 HCl is a PI3Kδ and PI3Kγ inhibitor (antagonist) with IC50 of 1.3 and 6.1 nM respectively.

Physicochemical Properties

Molecular Formula	C23H23CLN8O
Molecular Weight	462.934722185135
Exact Mass	462.168
CAS #	1431697-78-7
Related CAS #	CAL-130 Racemate;474012-90-3;CAL-130;1431697-74-3
PubChem CID	71576677
Appearance	Light yellow to yellow solid powder
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	33
Complexity	731
Defined Atom Stereocenter Count	1
SMILES	CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)[C@H](C)NC4=NC(=NC5=C4NC=N5)N.Cl
InChi Key	XEUIGTXAJSGCRB-UQKRIMTDSA-N
InChi Code	InChI=1S/C23H22N8O.ClH/c1-12-7-4-5-10-16(12)31-21(28-15-9-6-8-13(2)17(15)22(31)32)14(3)27-20-18-19(26-11-25-18)29-23(24)30-20;/h4-11,14H,1-3H3,(H4,24,25,26,27,29,30);1H/t14-;/m0./s1
Chemical Name	2-[(1S)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one;hydrochloride
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: Please store this product in a sealed and protected environment, avoid exposure to moisture.
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	Preferentially, the p110γ and p110δ catalytic domains are inhibited by CAL-130. For p110δ and p110γ, the IC50 values of CAL-130 were 1.3 and 6.1 nM, respectively, whereas for p110α and p110β, they were 115 and 56 nM, respectively. Other intracellular signaling pathways that are essential for overall cellular survival and function, such as p38 MAPK and insulin receptor tyrosine kinase, are not inhibited by CAL-130 [1].
ln Vivo	Interfering with the combined activities of PI3Kγ and PI3Kδ was found to have therapeutic importance when given to Lck/Ptenfl/fl mice that had T-cell acute lymphoblastic leukemia (T-ALL). The animals considered for survival experiments are not well-groomed, their white blood cell (WBC) counts are higher than 45,000 μL-1, peripheral smears show blast activity, and most circulating cells (>75%) are Thy1.2 and Thy1-sensitive. 2 Positive staining twice. Base-67. Oral CAL-130 (10 mg/kg) was given to mice every 8 hours for 7 days, after which they were monitored until they became moribund. The median survival of treated animals was extended to 45 days by CAL-130, despite the short treatment time, as opposed to 7.5 days for the control group [1].
References	[1]. Targeting nonclassical oncogenes for therapy in T-ALL. Cancer cell (2012), 21(4), 459-72.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~108.01 mM) H2O : < 0.1 mg/mL

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 3 mg/mL (6.48 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 30.0 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: ≥ 3 mg/mL (6.48 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 30.0 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: ≥ 3 mg/mL (6.48 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 30.0 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	2.1602 mL	10.8008 mL	21.6015 mL
	5 mM	0.4320 mL	2.1602 mL	4.3203 mL
	10 mM	0.2160 mL	1.0801 mL	2.1602 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.