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NRC-2694-A

CAT: 0804-HY-19909ASize: 1 EachDry Ice: NoHazardous: No
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Description
NRC-2694-A is an orally effective EGFR tyrosine kinase inhibitor. NRC-2694-A can be used in the study of malignant squamous cell carcinoma (HNSCC) [1].
CAS Number
1172626-99-1
UNSPSC
12352005
Target
EGFR
Type
Reference compound
Related Pathways
JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nrc-2694-a.html
Smiles
COC1=CC2=NC=NC(NC3=CC=CC(C#C)=C3)=C2C=C1OCCCN4CCOCC4.Cl
Molecular Formula
C24H27ClN4O3
Molecular Weight
454.95
References & Citations
[1]Adkins D, et al. Oral NRC-2694-A in combination with paclitaxel as therapy for recurrent and/or metastatic head and neck squamous cell carcinoma (R/M-HNSCC) that progressed on or after an immune checkpoint inhibitor (ICI) : A multi-center, single-arm, phase 2 trial. 2023.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

NRC-2694 hydrochloride

EGFR Inhibitor NRC-2694 Hydrochloride is the monohydrochloride salt form of NRC-2694, 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 Number1172626-99-1
PubChem CID44194961
IUPAC NameN-(3-ethynylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride
Molecular FormulaC24H27ClN4O3
Molecular Weight454.9
Topological Polar Surface Area68.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity591
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCN4CCOCC4.Cl
InChI
InChI=1S/C24H26N4O3.ClH/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);1H
InChIKey
YHFOWANFLQFAKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NRC-2694 hydrochloride
CAS: 1172626-99-1
CID: 44194961
Formula: C24H27ClN4O3
MW: 454.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass454.1771684
Monoisotopic Mass454.1771684
Topological Polar Surface Area68.7 Ų
Heavy Atom Count32
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 Count2
Compound Is CanonicalizedYes

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BA6372-5.1NRC-2694
A20643-25NRC-2694 25mg
A20643-5NRC-2694 5mg
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GTR19209352-01NRC-2694 hydrochloride
MBS5813870NRC-2694 dihydrochloride
A20643-200NRC-2694 200mg
A20643-100NRC-2694 100mg
A20643-50NRC-2694 50mg
A20643-10NRC-2694 10mg

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