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Nazartinib mesylate

CAT: 0804-HY-12872ASize: 1 EachDry Ice: NoHazardous: No
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Description
Nazartinib mesylate (EGF816 mesylate) is a novel, covalent mutant-selective EGFR inhibitor, with Ki and Kinact of 31 nM and 0.222 min 1 on EGFR (L858R/790M) mutant, respectively.
CAS Number
1508250-72-3
Product Name Alternative
EGF816 (mesylate)
UNSPSC
12352005
Target
EGFR
Type
Reference compound
Related Pathways
JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/EGF816-mesylate.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC(C)=NC=C1)NC2=NC3=CC=CC(Cl)=C3N2[C@H]4CN(C(/C=C/CN(C)C)=O)CCCC4.CS(=O)(O)=O
Molecular Formula
C27H35ClN6O5S
Molecular Weight
591.12
References & Citations
[1]Lelais G, et al. Discovery of (R, E) -N- (7-Chloro-1- (1-[4- (dimethylamino) but-2-enoyl]azepan-3-yl) -1H-benzo[d]imidazol-2-yl) -2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T79|[2]Jia Y, et al. EGF816 Exerts Anticancer Effects in Non-Small Cell Lung Cancer by Irreversibly and Selectively Targeting Primary and Acquired Activating Mutations in the EGF Receptor. Cancer Res. 2016 Mar 15;76 (6) :1591-602
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
EGFR/ErbB1/HER1

Chemical Information

EGF816 mesylate

See also: Nazartinib Mesylate (annotation moved to).

CAS Number1508250-72-3
PubChem CID91809207
IUPAC NameN-[7-chloro-1-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;methanesulfonic acid
Molecular FormulaC27H35ClN6O5S
Molecular Weight591.1
Topological Polar Surface Area146
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity857
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.CS(=O)(=O)O
InChI
InChI=1S/C26H31ClN6O2.CH4O3S/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;1-5(2,3)4/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35);1H3,(H,2,3,4)/b11-7+;/t20-;/m1./s1
InChIKey
BJRYTAMUVASSBY-ZJULCNDBSA-N
Chemical Structure
2D Structure
2D structure of EGF816 mesylate
CAS: 1508250-72-3
CID: 91809207
Formula: C27H35ClN6O5S
MW: 591.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight591.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass590.2078171
Monoisotopic Mass590.2078171
Topological Polar Surface Area146 Ų
Heavy Atom Count40
Formal Charge0
Complexity857
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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A21741-50Nazartinib mesylate 50mg
A21741-5Nazartinib mesylate 5mg
A21741-25Nazartinib mesylate 25mg
A21741-10Nazartinib mesylate 10mg
A21741-1Nazartinib mesylate 1mg
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