Olmutinib

HCID 54758501

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1353550-13-6
標準SMILES: C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1
InChIKey: FDMQDKQUTRLUBU-UHFFFAOYSA-N
分子式: C26H26N6O2S
平均分子量: 486.6 g/mol
単同位体質量: 486.18379527

名称と識別子

優先名称: Olmutinib
IUPAC: N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
英語名: HM-61713 (BI-1482694)
分子量: 0

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 4.7
極性表面積: 111 Å²
水素結合供与体数: 2
水素結合受容体数: 8
回転可能結合数: 7
重原子数: 35
形式電荷: 0
複雑度: 712

化学と産業

薬理情報

ATC Code · 2 件

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 件

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 件

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.

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化合物ノート

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