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Co-1686

CAS No.:
1374640-70-6
Catalog Number:
AG0039L5
Molecular Formula:
C27H28F3N7O3
Molecular Weight:
555.5515
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$133
- +
5mg
≥98%
1 week
United States
$286
- +
10mg
≥98%
1 week
United States
$439
- +
Product Description
Catalog Number:
AG0039L5
Chemical Name:
Co-1686
CAS Number:
1374640-70-6
Molecular Formula:
C27H28F3N7O3
Molecular Weight:
555.5515
MDL Number:
MFCD26793864
IUPAC Name:
N-[3-[[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
InChI:
InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
InChI Key:
HUFOZJXAKZVRNJ-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1cccc(c1)Nc1nc(ncc1C(F)(F)F)Nc1ccc(cc1OC)N1CCN(CC1)C(=O)C
UNII:
72AH61702G
Properties
Complexity:
871  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
555.221g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
555.562g/mol
Monoisotopic Mass:
555.221g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Osimertinib induces autophagy and apoptosis via reactive oxygen species generation in non-small cell lung cancer cells. Toxicology and applied pharmacology 20170415
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
Third-generation inhibitors targeting EGFR T790M mutation in advanced non-small cell lung cancer. Journal of hematology & oncology 20160101
Treatment approaches for EGFR-inhibitor-resistant patients with non-small-cell lung cancer. The Lancet. Oncology 20150901
Dacomitinib in lung cancer: a 'lost generation' EGFR tyrosine-kinase inhibitor from a bygone era? Drug design, development and therapy 20150101
Discovery of a mutant-selective covalent inhibitor of EGFR that overcomes T790M-mediated resistance in NSCLC. Cancer discovery 20131201
Second-generation epidermal growth factor receptor tyrosine kinase inhibitors in lung cancers. Journal of the National Comprehensive Cancer Network : JNCCN 20130201
Properties