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YS-363

CAT: 0931-T80748-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T80748-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2470908-90-6
Target
EGFR, Apoptosis
Related Pathways
JAK/STAT signaling, Angiogenesis, Tyrosine Kinase/Adaptors, Apoptosis
Bioactivity
YS-363 is a potent, selective, and orally active inhibitor of the epidermal growth factor receptor (EGFR), with half-maximal inhibitory concentrations (IC50) of 0.96 nM for the wild-type EGFR and 0.67 nM for the L858R mutant variant. It induces G0/G1 cell cycle arrest and apoptosis in targeted cells [1].
Smiles
N=1C=NC(=C2C=C(OCCCN3CCOCC3)C(OC)=CC12)C=4C=5C=CC=CC5NC4C=6C=CC=CC6
Molecular Formula
C30H30N4O3
Molecular Weight
494.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[3-[7-methoxy-4-(2-phenyl-1H-indol-3-yl)quinazolin-6-yl]oxypropyl]morpholine
CAS Number2470908-90-6
PubChem CID164615696
IUPAC Name4-[3-[7-methoxy-4-(2-phenyl-1H-indol-3-yl)quinazolin-6-yl]oxypropyl]morpholine
Molecular FormulaC30H30N4O3
Molecular Weight494.6
XLogP5
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity700
SMILES
COC1=C(C=C2C(=C1)N=CN=C2C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)OCCCN6CCOCC6
InChI
InChI=1S/C30H30N4O3/c1-35-26-19-25-23(18-27(26)37-15-7-12-34-13-16-36-17-14-34)30(32-20-31-25)28-22-10-5-6-11-24(22)33-29(28)21-8-3-2-4-9-21/h2-6,8-11,18-20,33H,7,12-17H2,1H3
InChIKey
QGMPQFYLGHXWOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[3-[7-methoxy-4-(2-phenyl-1H-indol-3-yl)quinazolin-6-yl]oxypropyl]morpholine
CAS: 2470908-90-6
CID: 164615696
Formula: C30H30N4O3
MW: 494.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.6
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass494.23179083
Monoisotopic Mass494.23179083
Topological Polar Surface Area72.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity700
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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