NRC-2694 is an epidermal growth factor receptor (EGFR) antagonist (inhibitor) with anti-cancer and anti-proliferation activities. NRC-2694 is a reagent for click chemistry. It has Alkyne groups and could undergo CuAAc (copper-catalyzed azide-alkyne cycloaddition reaction) with compounds bearing Azide groups.

Physicochemical Properties

Molecular Formula	C24H26N4O3
Molecular Weight	418.497
Exact Mass	418.2
CAS #	936446-61-6
PubChem CID	16129168
Appearance	White to off-white solid powder
Density	1.3±0.1 g/cm3
Boiling Point	597.6±50.0 °C at 760 mmHg
Flash Point	315.2±30.1 °C
Vapour Pressure	0.0±1.7 mmHg at 25°C
Index of Refraction	1.646
LogP	2.84
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	31
Complexity	591
Defined Atom Stereocenter Count	0
InChi Key	WBKHQQZRHCECKK-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H26N4O3/c1-3-18-6-4-7-19(14-18)27-24-20-15-23(22(29-2)16-21(20)25-17-26-24)31-11-5-8-28-9-12-30-13-10-28/h1,4,6-7,14-17H,5,8-13H2,2H3,(H,25,26,27)
Chemical Name	N-(3-ethynylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
Synonyms	NRC2694; NRC 2694; NRC-2694
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	Similar suppression of EGFR expression was induced by NRC-2694 at a dose of 80 ng (190 nm) [1].
ln Vivo	NRC-2694's maximum tolerated dose in toxicity tests was 2000 mg/kg (po) for both male and female mice. In mice, NRC-2694 (10 mg/kg) causes tumor regression [1].
References	[1]. 6-7,dialkoxy quinazoline derivatives useful for treatment of cancer related disorders. US 8143250 B2.
Additional Infomation	EGFR Inhibitor NRC-2694 is an orally bioavailable, small-molecule inhibitor of epidermal growth factor receptor (EGFR), with potential antineoplastic activity. Upon oral administration, EGFR inhibitor NRC-2694 binds to and inhibits EGFR, which prevents EGFR-mediated signaling and leads to cell death in EGFR-expressing tumor cells. EGFR, a receptor tyrosine kinase mutated in many tumor cell types, plays a key role in tumor cell proliferation and tumor vascularization.

Solubility Data

Solubility (In Vitro)

DMSO : ~250 mg/mL (~597.39 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.97 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 (4.97 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 (4.97 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	2.3895 mL	11.9474 mL	23.8949 mL
	5 mM	0.4779 mL	2.3895 mL	4.7790 mL
	10 mM	0.2389 mL	1.1947 mL	2.3895 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.