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AZ5385

CAT: 0931-T85781-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T85781-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
848439-89-4
Target
Virus Protease, EGFR
Related Pathways
Microbiology/Virology, Tyrosine Kinase/Adaptors, JAK/STAT signaling, Angiogenesis
Bioactivity
AZ5385 functions as an EGFR-tyrosine kinase inhibitor and also acts as a blocker of the HRV-2 virus, with an EC 50 value of 0.35 μM. It impacts the late stage of the viral life cycle [1].
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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