PI3Kδ-IN-11 is a potent and specific PI3Kδ inhibitor (antagonist) with IC50 of 27.5 nM. PI3Kδ-IN-11 concentration-dependently blocks the activity of the PI3K/Akt pathway. PI3Kδ-IN-11 may be utilized to study B cell or T cell related malignancies.

Physicochemical Properties

Molecular Formula	C27H21N5O
Molecular Weight	431.488545179367
Exact Mass	431.174
CAS #	2413257-51-7
PubChem CID	162676331
Appearance	Typically exists as solid at room temperature
LogP	5.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	33
Complexity	685
Defined Atom Stereocenter Count	0
SMILES	C(NC1=CC(NC2=C3C(=NC=N2)C=CC(C2=CC4C(N=C2)=CC=CC=4)=C3)=CC=C1C)(=O)C=C
InChi Key	KWOOYTIEVXKZNB-UHFFFAOYSA-N
InChi Code	InChI=1S/C27H21N5O/c1-3-26(33)32-25-14-21(10-8-17(25)2)31-27-22-13-18(9-11-24(22)29-16-30-27)20-12-19-6-4-5-7-23(19)28-15-20/h3-16H,1H2,2H3,(H,32,33)(H,29,30,31)
Chemical Name	N-[2-methyl-5-[(6-quinolin-3-ylquinazolin-4-yl)amino]phenyl]prop-2-enamide
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	PI3Kδ-IN-11 (compound 15c) inhibits Raji and Ramos at IC50 values of 8.5 μM and 5.4 μM, respectively, over a 48-hour period (0–10 μM) [1]. The proliferation of Raji cells is inhibited by PI3Kδ-IN-11 (0.2-15 μM; 0-48 hours) in a dose- and time-dependent manner [1]. 10.78% apoptosis is triggered by 5 μM of PI3Kδ-IN-11 over a 24-hour period [1]. The phosphorylation of Akt (S473) is dose-dependently decreased by PI3Kδ-IN-11 (1-1000 nM; 24 hours) [1].
Cell Assay	Cell viability assay Cell Types: Raji and Ramos[1] Tested Concentrations: 0-10 μM Incubation Duration: 48 hrs (hours) Experimental Results: Inhibited Raji and Ramos, IC50 was 8.5 μM and 5.4 μM respectively. Cell proliferation assay Cell Types: Raji[1] Tested Concentrations: 0.2, 1, 4, 8, 10 and 15 μM Incubation Duration: 0, 12, 24, 36, 48 hrs (hours) Experimental Results: Inhibition of proliferation of Raji cells across dose and dose range time-dependent manner. Apoptosis analysis Cell Types: Raji[1] Tested Concentrations: 5 μM Incubation Duration: 24 hrs (hours) Experimental Results: Triggered 10.78% apoptosis. Western Blot Analysis Cell Types: Raji[1] Tested Concentrations: 1, 10, 100, 500 and 1000 nM Incubation Duration: 24 hrs (hours) Experimental Results: Akt (S473) phosphorylation diminished in a dose-dependent manner, indicating that the activity of the PI3K/Akt pathway was effectively Interception.
References	[1]. Discovery of novel quinazoline derivatives as potent PI3Kδ inhibitors with high selectivity. Eur J Med Chem. 2020;208:112865.

Solubility Data

Solubility (In Vitro)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.3176 mL	11.5878 mL	23.1755 mL
	5 mM	0.4635 mL	2.3176 mL	4.6351 mL
	10 mM	0.2318 mL	1.1588 mL	2.3176 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.