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NRC-2694

CAT: 0607-BA6372-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6372-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
936446-61-6
Form
A solid
Molecular Formula
C24H26N4O3
Molecular Weight
418.49
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Nrc-2694

EGFR Inhibitor NRC-2694 is an orally bioavailable, small-molecule inhibitor of epidermal growth factor receptor (EGFR), with potential antineoplastic activity. Upon oral administration, EGFR inhibitor NRC-2694 binds to and inhibits EGFR, which prevents EGFR-mediated signaling and leads to cell death in EGFR-expressing tumor cells. EGFR, a receptor tyrosine kinase mutated in many tumor cell types, plays a key role in tumor cell proliferation and tumor vascularization.

CAS Number936446-61-6
PubChem CID16129168
IUPAC NameN-(3-ethynylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
Molecular FormulaC24H26N4O3
Molecular Weight418.5
XLogP3.6
Topological Polar Surface Area68.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity591
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCN4CCOCC4
InChI
InChI=1S/C24H26N4O3/c1-3-18-6-4-7-19(14-18)27-24-20-15-23(22(29-2)16-21(20)25-17-26-24)31-11-5-8-28-9-12-30-13-10-28/h1,4,6-7,14-17H,5,8-13H2,2H3,(H,25,26,27)
InChIKey
WBKHQQZRHCECKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nrc-2694
CAS: 936446-61-6
CID: 16129168
Formula: C24H26N4O3
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass418.20049070
Monoisotopic Mass418.20049070
Topological Polar Surface Area68.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity591
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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