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Src Inhibitor 1

CAT: 1410-M17379-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M17379-07Size:100 mg
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Description
Src Inhibitor 1 is a potent and selective dual site Src tyrosine kinase inhibitor.
CAS Number
179248-59-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
373.4
Molecular Formula
C22H19N3O3
Notes
Research use only, not for human use.
Receptor
Lck| Src

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
Loading 3D structure...
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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