sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Egf816

Egf816

CAS No.:
1508250-71-2
Catalog Number:
AG001MVJ
Molecular Formula:
C26H31ClN6O2
Molecular Weight:
495.0163
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
99%
1 week
United States
$210
- +
10mg
99%
1 week
United States
$321
- +
25mg
99%
1 week
United States
$543
- +
50mg
99%
1 week
United States
$960
- +
100mg
99%
1 week
United States
$1793
- +
Product Description
Catalog Number:
AG001MVJ
Chemical Name:
Egf816
CAS Number:
1508250-71-2
Molecular Formula:
C26H31ClN6O2
Molecular Weight:
495.0163
MDL Number:
MFCD28963918
IUPAC Name:
N-[7-chloro-1-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide
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
InChI Key:
IOMMMLWIABWRKL-WUTDNEBXSA-N
SMILES:
CN(C/C=C/C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(c2)C)nc2c1c(Cl)ccc2)C
UNII:
KE7K32EME8
Properties
Complexity:
764  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
1  
Exact Mass:
494.22g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
495.024g/mol
Monoisotopic Mass:
494.22g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Not all epidermal growth factor receptor mutations in lung cancer are created equal: Perspectives for individualized treatment strategy. Cancer science 20160901
Challenges and Perspectives on the Development of Small-Molecule EGFR Inhibitors against T790M-Mediated Resistance in Non-Small-Cell Lung Cancer. Journal of medicinal chemistry 20160728
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 (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. Journal of medicinal chemistry 20160728
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 research 20160315
Properties