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AZ5385

CAT: 0013-GTR19235576-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235576-03Size:100 mg
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Description
AZ5385 is a dual-function small molecule that inhibits EGFR tyrosine kinase and blocks human rhinovirus 2 (HRV-2) replication with an EC50 of 0.35 μM, specifically targeting the late viral life cycle stage. It is a research tool for studying oncology and virology, applicable in both in vitro antiviral assays and cancer cell signaling experiments.
CAS Number
848439-89-4
Field of Research
Cardiovascular Research, Infectious Disease & Virology, Signal Transduction
Smiles
N (C=1C2=C (C=C (OC3CCN (C ([C@H] (C) O) =O) CC3) C (O) =C2) N=CN1) C4=C (F) C (Cl) =CC=C4
Molecular Formula
C22H22ClFN4O4
Molecular Weight
460.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-1-[4-[4-(3-chloro-2-fluoroanilino)-6-hydroxyquinazolin-7-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one
CAS Number848439-89-4
PubChem CID57794563
IUPAC Name(2S)-1-[4-[4-(3-chloro-2-fluoroanilino)-6-hydroxyquinazolin-7-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one
Molecular FormulaC22H22ClFN4O4
Molecular Weight460.9
XLogP3.6
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity641
SMILES
C[C@@H](C(=O)N1CCC(CC1)OC2=C(C=C3C(=C2)N=CN=C3NC4=C(C(=CC=C4)Cl)F)O)O
InChI
InChI=1S/C22H22ClFN4O4/c1-12(29)22(31)28-7-5-13(6-8-28)32-19-10-17-14(9-18(19)30)21(26-11-25-17)27-16-4-2-3-15(23)20(16)24/h2-4,9-13,29-30H,5-8H2,1H3,(H,25,26,27)/t12-/m0/s1
InChIKey
ZEMOLVXZDCKDSL-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of (2S)-1-[4-[4-(3-chloro-2-fluoroanilino)-6-hydroxyquinazolin-7-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one
CAS: 848439-89-4
CID: 57794563
Formula: C22H22ClFN4O4
MW: 460.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.9
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass460.1313611
Monoisotopic Mass460.1313611
Topological Polar Surface Area108 Ų
Heavy Atom Count32
Formal Charge0
Complexity641
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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