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Nazartinib (EGF816)

CAT: 1568-C12979-1gSize: 1 gDry Ice: YesHazardous: No
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CAT#:1568-C12979-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1508250-71-2
Synonyms
NVS-816
Target
EGFR
Applications
Protein Tyrosine Kinase
Smiles
CC1=NC=CC (=C1) C (=O) NC2=NC3=C (N2C4CCCCN (C4) C (=O) C=CCN (C) C) C (=CC=C3) Cl
Molecular Formula
C26H31ClN6O2
Additionnal Information
Nazartinib (EGF816, NVS-816) is a covalent, irreversible, mutant-selective EGFR inhibitor that has nanomolar inhibitory potency against activating mt (L858R, ex19del) and T790M mt, with up to 60-fold selectivity over wild type (wt) EGFR in vitro.
Storage Conditions
2 years -80 in solvent

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

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