Home Aminos N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide

N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide

CAS No.:
1421373-65-0
Catalog Number:
AG009C4D
Molecular Formula:
C28H33N7O2
Molecular Weight:
499.6073
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$113
- +
5g
98%
In Stock USA
United States
$338
- +
10g
98%
In Stock USA
United States
$600
- +
25g
98%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG009C4D
Chemical Name:
N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
CAS Number:
1421373-65-0
Molecular Formula:
C28H33N7O2
Molecular Weight:
499.6073
MDL Number:
MFCD27988062
IUPAC Name:
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
InChI:
InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
InChI Key:
DUYJMQONPNNFPI-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1N(CCN(C)C)C)OC
UNII:
3C06JJ0Z2O
Properties
Complexity:
752  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.27g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
499.619g/mol
Monoisotopic Mass:
499.27g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
L718Q Mutation as New Mechanism of Acquired Resistance to AZD9291 in EGFR-Mutated NSCLC. Journal of thoracic oncology : official publication of the International Association for the Study of Lung Cancer 20161001
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
Management of advanced non-small cell lung cancers with known mutations or rearrangements: latest evidence and treatment approaches. Therapeutic advances in respiratory disease 20160401
Acquired C797S Mutation upon Treatment with a T790M-Specific Third-Generation EGFR Inhibitor (HM61713) in Non-Small Cell Lung Cancer. Journal of thoracic oncology : official publication of the International Association for the Study of Lung Cancer 20160401
Osimertinib: First Global Approval. Drugs 20160201
Third-generation inhibitors targeting EGFR T790M mutation in advanced non-small cell lung cancer. Journal of hematology & oncology 20160101
Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed. Journal of structural biology 20151201
Acquired Resistance of EGFR-Mutant Lung Cancer to a T790M-Specific EGFR Inhibitor: Emergence of a Third Mutation (C797S) in the EGFR Tyrosine Kinase Domain. JAMA oncology 20151001
Emerging Agents and New Mutations in EGFR-Mutant Lung Cancer. Clinical cancer research : an official journal of the American Association for Cancer Research 20150901
Treatment approaches for EGFR-inhibitor-resistant patients with non-small-cell lung cancer. The Lancet. Oncology 20150901
The latest therapeutic strategies after resistance to first generation epidermal growth factor receptor tyrosine kinase inhibitors (EGFR TKIs) in patients with non-small cell lung cancer (NSCLC). Annals of translational medicine 20150501
Second and third-generation epidermal growth factor receptor tyrosine kinase inhibitors in advanced nonsmall cell lung cancer. Current opinion in oncology 20150301
Dacomitinib in lung cancer: a 'lost generation' EGFR tyrosine-kinase inhibitor from a bygone era? Drug design, development and therapy 20150101
AZD9291, an irreversible EGFR TKI, overcomes T790M-mediated resistance to EGFR inhibitors in lung cancer. Cancer discovery 20140901
Second-generation epidermal growth factor receptor tyrosine kinase inhibitors in lung cancers. Journal of the National Comprehensive Cancer Network : JNCCN 20130201
Activating mutations in the epidermal growth factor receptor underlying responsiveness of non-small-cell lung cancer to gefitinib. The New England journal of medicine 20040520
Properties