EGFR-IN-76 (compound 37A) is a potent reagent for EGFR. EGFR-IN-76 is a reagent for click chemistry. It contains an alkyne group and can undergo copper-catalyzed azide catalyst cycloaddition reaction (CuAAc) with compounds bearing an Azide group.

Physicochemical Properties

Molecular Formula	C30H30CLFN6O2
Molecular Weight	561.049608707428
Exact Mass	560.21
CAS #	2607829-38-7
PubChem CID	156071569
Appearance	Light yellow to yellow solid powder
LogP	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	40
Complexity	1010
Defined Atom Stereocenter Count	2
SMILES	C(NC1C(C#C[C@]23[C@]([H])(C2)CN(C)C3)=CC2C(C=1)=C(NC1=CC=CC(Cl)=C1F)N=CN=2)(=O)/C=C/CN1CCOCC1
InChi Key	LMOVDLRMIRLIJF-TUVXKDNKSA-N
InChi Code	InChI=1S/C30H30ClFN6O2/c1-37-17-21-16-30(21,18-37)8-7-20-14-26-22(29(34-19-33-26)36-24-5-2-4-23(31)28(24)32)15-25(20)35-27(39)6-3-9-38-10-12-40-13-11-38/h2-6,14-15,19,21H,9-13,16-18H2,1H3,(H,35,39)(H,33,34,36)/b6-3+/t21-,30+/m1/s1
Chemical Name	(E)-N-[4-(3-chloro-2-fluoroanilino)-7-[2-[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]ethynyl]quinazolin-6-yl]-4-morpholin-4-ylbut-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

References

[1]. Preparation of alkynyl quinazoline compounds as anticancer agents. World Intellectual Property Organization, WO2021030711 A1. 2021-02-18.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~178.24 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.46 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	1.7824 mL	8.9119 mL	17.8237 mL
	5 mM	0.3565 mL	1.7824 mL	3.5647 mL
	10 mM	0.1782 mL	0.8912 mL	1.7824 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.