NVS-PI3-4 is a specific PI3Kγ inhibitor. NVS-PI3-4 may be utilized in the research/study of allergies, inflammation and cancer diseases.

Physicochemical Properties

Molecular Formula	C20H26N4O3S
Molecular Weight	402.510443210602
Exact Mass	402.172
CAS #	941580-60-5
PubChem CID	23585510
Appearance	Off-white to yellow solid powder
LogP	2.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	28
Complexity	570
Defined Atom Stereocenter Count	0
SMILES	S1C(=NC(C)=C1C1C=CC(C(C)=O)=CC=1)NC(NCCC(NC(C)(C)C)=O)=O
InChi Key	IUPXLLWDLOWEBR-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H26N4O3S/c1-12-17(15-8-6-14(7-9-15)13(2)25)28-19(22-12)23-18(27)21-11-10-16(26)24-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,26)(H2,21,22,23,27)
Chemical Name	3-[[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N-tert-butylpropanamide
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	Excellent cell selectivity for PI3Kγ is demonstrated by NVS-PI3-4. In p110δDA, NVS-PI3-4 decreases IgE/antigen-mediated PKB/Akt phosphorylation. It is not possible for NVS-PI3-4 (5 μM; 30 min; BMMC) to concentrate only in mast cells [2].
References	[1]. Development of isoform selective PI3-kinase inhibitors as pharmacological tools for elucidating the PI3K pathway. Bioorg Med Chem Lett. 2012;22(17):5445-5450. [2]. Transient targeting of phosphoinositide 3-kinase acts as a roadblock in mast cells' route to allergy. J Allergy Clin Immunol. 2013;132(4):959-968.

Solubility Data

Solubility (In Vitro)

DMSO : ~250 mg/mL (~621.10 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.17 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 (5.17 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 20.8 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: ≥ 2.08 mg/mL (5.17 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	2.4844 mL	12.4221 mL	24.8441 mL
	5 mM	0.4969 mL	2.4844 mL	4.9688 mL
	10 mM	0.2484 mL	1.2422 mL	2.4844 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.