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Nazartinib mesylate

CAT: 0013-GTR19205972-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205972-01Size:25 mg
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Description
Nazartinib mesylate is a covalent, mutant-selective EGFR inhibitor targeting the L858R/T790M mutant with a Ki of 31 nM and a Kinact of 0.222/min. It is a research tool for studying resistance mechanisms in non-small cell lung cancer (NSCLC) and has demonstrated antitumor activity in both cellular assays and in vivo models.
CAS Number
1508250-72-3
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
S (C) (=O) (=O) O.N (C (=O) C=1C=C (C) N=CC1) C=2N (C=3C (N2) =CC=CC3Cl) [C@]4 (CN (C (/C=C/CN (C) C) =O) CCCC4) [H]
Molecular Formula
C27H35ClN6O5S
Molecular Weight
591.12
Storage Conditions
-20°C
Notes
For research use only.

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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