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Src Inhibitor 1 50mg

CAT: 0628-A12299-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A12299-50Size:50 mg
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CAS Number
179248-59-0

Chemical Information

Src Kinase Inhibitor I

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 an aromatic ether, a member of quinazolines, a polyether and a secondary amino compound.

CAS Number179248-59-0
PubChem CID1474853
IUPAC Name6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine
Molecular FormulaC22H19N3O3
Molecular Weight373.4
XLogP4.9
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity466
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)OC
InChI
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)
InChIKey
DMWVGXGXHPOEPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Src Kinase Inhibitor I
CAS: 179248-59-0
CID: 1474853
Formula: C22H19N3O3
MW: 373.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass373.14264148
Monoisotopic Mass373.14264148
Topological Polar Surface Area65.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity466
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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