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EGF816

CAT: 0607-B5889-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B5889-50Size:50 mg
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Description
Novel covalent inhibitor of mutant-selective EGFR
CAS Number
1508250-71-2
Product Name Alternative
(R,E)-N-(7-chloro-1-(1-(4-(dimethylamino)but-2-enoyl)azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide
Sequence
Nazartinib
Field of Research
Tyrosine Kinase EGFR
Purity
0.98
Solubility
Soluble in DMSO
Smiles
CC1=CC(C(NC2=NC3=CC=CC(Cl)=C3N2[C@]4([H])CCCCN(C(/C([H])=C([H])/CN(C)C)=O)C4)=O)=CC=N1
Molecular Formula
C26H31ClN6O2
Molecular Weight
495.02
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Nazartinib

Nazartinib is under investigation in clinical trial NCT03529084 (Phase III Study of Nazartinib (EGF816) Versus Erlotinib/gefitinib in First-line Locally Advanced / Metastatic NSCLC With EGFR Activating Mutations).

CAS Number1508250-71-2
PubChem CID72703790
IUPAC NameN-[7-chloro-1-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide
Molecular FormulaC26H31ClN6O2
Molecular Weight495.0
XLogP3.2
Topological Polar Surface Area83.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity764
SMILES
CC1=NC=CC(=C1)C(=O)NC2=NC3=C(N2[C@@H]4CCCCN(C4)C(=O)/C=C/CN(C)C)C(=CC=C3)Cl
InChI
InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
InChIKey
IOMMMLWIABWRKL-WUTDNEBXSA-N
Chemical Structure
2D Structure
2D structure of Nazartinib
CAS: 1508250-71-2
CID: 72703790
Formula: C26H31ClN6O2
MW: 495.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.0
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass494.2197019
Monoisotopic Mass494.2197019
Topological Polar Surface Area83.4 Ų
Heavy Atom Count35
Formal Charge0
Complexity764
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS579636EGF816
C12979-01Nazartinib (EGF816)
MBS131229-01EGF816 mesylate
MBS3840357-01EGF816 (Nazartinib)
A14416-10EGF816 10mg
A14416-5EGF816 5mg
A14416-100EGF816 (Nazartinib) 100mg
A14416-25EGF816 (Nazartinib) 25mg
A14416-500EGF816 (Nazartinib) 500mg
A14416-50EGF816 (Nazartinib) 50mg

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