Src Inhibitor 1 (Src-I1) is a novel, potent and selective dual site inhibitor of Src tyrosine kinases with potential anticancer activity. It acts by competitively binding to both the ATP- and peptide-binding sites (IC50 = 44 nM for Src and 88nM for Lck, respectively). Src is a non-receptor tyrosine kinase that is deregulated in many types of cancer. Thus Src Inhibitor 1 (Src-I1) can be potentially used for cancer treatment.

Physicochemical Properties

Molecular Formula	C22H19N3O3
Molecular Weight	373.41
Exact Mass	373.142
CAS #	179248-59-0
Related CAS #	Src I1; Src I-1; SrcI1.;
PubChem CID	1474853
Appearance	Off-white to yellow solid powder
Density	1.3±0.1 g/cm3
Boiling Point	528.2±50.0 °C at 760 mmHg
Flash Point	273.2±30.1 °C
Vapour Pressure	0.0±1.4 mmHg at 25°C
Index of Refraction	1.665
LogP	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	28
Complexity	466
Defined Atom Stereocenter Count	0
InChi Key	DMWVGXGXHPOEPT-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)
Chemical Name	6,7-Dimethoxy-N-(4-phenoxyphenyl)-4-quinazolinamine
Synonyms	Src I1; SrcI1;Src I-1
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	Src Inhibitor 1 competes with the ATP and peptide binding sites of the kinase. For both Src and Lck, the IC50 values of Src Inhibitor 1 are 44 and 88 nM, respectively[1]. Strong Src Inhibitor 1 (IC50=0.18 μM) was discovered to inhibit not only Src but also other members of the Src family, including Yes, Lck, and Csk, with potencies comparable to Src, and RIP2 (IC50=0.026 μM) showing greater efficacy. Moreover, Src Inhibitor 1's inhibitory potency on CHK2 is comparable to that of Src, while it is marginally less potent on Aurora B [2].
ln Vivo	N/A
Animal Protocol	N/A N/A
References	[1]. Structural determinants for potent, selective dual site inhibition of human pp60c-src by 4-anilinoquinazolines. Biochemistry. 2001 Jun 19;40(24):7084-91. [2]. The selectivity of protein kinase inhibitors: a further update. Biochem J. 2007 Dec 15;408(3):297-315.
Additional Infomation	Src Inhibitor-1 is a member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases. It has a role as an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is a member of quinazolines, a secondary amino compound, an aromatic ether and a polyether.

Solubility Data

Solubility (In Vitro)

DMSO: >6 mg/mL Water:N/A Ethanol:N/A

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.91 mg/mL (2.44 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 9.1 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 2: ≥ 0.91 mg/mL (2.44 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 9.1 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	2.6780 mL	13.3901 mL	26.7802 mL
	5 mM	0.5356 mL	2.6780 mL	5.3560 mL
	10 mM	0.2678 mL	1.3390 mL	2.6780 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.