Olmutinib

HCID 54758501

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Grundinformationen

CAS: 1353550-13-6
Standard-SMILES: C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1
InChIKey: FDMQDKQUTRLUBU-UHFFFAOYSA-N
Summenformel: C26H26N6O2S
Durchschnittliche Molmasse: 486,6 g/mol
Monoisotopische Masse: 486,18379527

Namen und Bezeichner

Bevorzugter Name: Olmutinib
IUPAC: N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
Englischer Name: HM-61713 (BI-1482694)
Molmasse: 0

Namen und Synonyme

Olmutinib1353550-13-6BI 1482694HM-61713BI-1482694CHL9B67L95N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide2-Propenamide, N-[3-[[2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy]phenyl]-DTXSID0013191192-Propenamide, N-(3-((2-((4-(4-methyl-1-piperazinyl)phenyl)amino)thieno(3,2-d)pyrimidin-4-yl)oxy)phenyl)-N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}thieno[3,2-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamideN-(3-((2-(4-(4-Methylpiperazin-1-yl)anilino)thieno(3,2-d)pyrimidin-4-yl)oxy)phenyl)prop-2-enamide

Weitere Namen anzeigen

HM-61713 (BI-1482694)NSC 163501ANTIBIOTIC AT-125U 42126HM 61713HM61713BI1482694

N-[3-({2-[4-(4-Methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamideolmutinibumN-(3-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)thieno(3,2-d)pyrimidin-4-yl)oxy)phenyl)prop-2-enamideN-(3-(2-(4-(4-methylpiperazin-1-yl)anilino)thieno(3,2-d)pyrimidin-4-yl)oxyphenyl)prop-2-enamideRefChem:856756L01XE40DTXCID4017485501802181-20-9

Datenbank-Bezeichner

CAS: 1353550-13-6、1802181-20-9
PubChem CID: 54758501
DTXSID: DTXSID001319119
ChEMBL: CHEMBL3786343
UNII: CHL9B67L95
Nikkaji: J3.435.413H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,7
Polarare Oberfläche (TPSA): 111 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 7
Schwere Atome: 35
Formalladung: 0
Komplexität: 712

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 2 Einträge

L - Antineoplastic and immunomodulating agents；L01 - Antineoplastic agents；L01E - Protein kinase inhibitors；L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors；L01EB06 - Olmutinib

QL - Antineoplastic and immunomodulating agents；QL01 - Antineoplastic agents；QL01E - Protein kinase inhibitors；QL01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors；QL01EB06 - Olmutinib

Protein BindingData not yet available.

Pharmacodynamics · 1 Eintrag

Olmutinib selectively and irreversibly binds and inhibits epidermal growth factor receptors (EGFR) with the T790M activating mutation. EGFRs are frequently over-expressed in lung cancer and contribute to activation of the phosphoinositide 3-kinase and mitogen activated protein kinase pathways which both promote cell survival and proliferation. By inhibiting EGFR activation, olmutinib attenuates the activation of these tumor promoting pathways.

Mechanism of Action · 1 Eintrag

Olmutinib covalently binds a cysteine residue near the kinase domain of mutant EGFRs to prevent phosphorylation of the receptor. This inhibits receptor signalling as phosphorylation is necessary for recruitment of signalling cascade proteins.

Biological Half-Life8-11h.

Metabolism/MetabolitesData not yet available.