Enozertinib
Grundinformationen
- CAS
2489185-38-6- Standard-SMILES
C=CC(=O)Nc1cc(Nc2cc(N3OCC[C@@H]3c3cc(F)cc(F)c3)ncn2)c(OC)cc1N1CCC(N2CCN(C3CC3)CC2)CC1- InChIKey
NNDXFTMFJKUUQA-SSEXGKCCSA-N- Summenformel
- C35H42F2N8O3
- Durchschnittliche Molmasse
- 660,8 g/mol
- Monoisotopische Masse
- 660,33479356
Überblick
Enozertinib is an orally bioavailable, central nervous system (CNS) penetrating, mutant-selective covalent inhibitor of epidermal growth factor receptor (EGFR; ErbB1) and human epidermal growth factor receptor 2 (HER2; EGFR2; ErbB2) alterations, including exon 20 insertion (Ex20ins) mutations, with potential antineoplastic activity. Upon oral administration, enozertinib selectively targets, irreversibly binds to and inhibits the activity of EGFR or HER2 insertions or mutations. This prevents EGFR/HER2-mediated signaling. This may induce cell death and inhibit tumor growth in EGFR/HER2-overexpressing tumor cells. Enozertinib is able to penetrate the blood-brain-barrier (BBB) and may therefore exert its activity against EGFR Ex20ins-driven CNS primary tumors and CNS metastases. The ErbB receptor tyrosine kinase family is involved in key cellular functions, including cell growth and survival. EGFR and HER2 alterations constitutively upregulate kinase activity.
Namen und Bezeichner
- Bevorzugter Name
- Enozertinib
- IUPAC
- N-[2-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-5-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]prop-2-enamide
- Englischer Name
- N-[2-[4-(4-Cyclopropyl-1-piperazinyl)-1-piperidinyl]-5-[[6-[(3R)-3-(3,5-difluorophenyl)-2-isoxazolidinyl]-4-pyrimidinyl]amino]-4-methoxyphenyl]-2-propenamide
- Summenformel
- C35H42F2N8O3
- Molmasse
- 660.76
Namen und Synonyme
Enozertinib2489185-38-6N-[2-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-5-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]prop-2-enamideenozertinib [INN]DU24UP8R94orb3028519SCHEMBL27215585SCHEMBL30888695GTPL13744ENOZERTINIB (ORIC-114)example 57 [US11466000B2]AT48506
Weitere Namen anzeigen
ORIC-1142-Propenamide, N-[2-[4-(4-cyclopropyl-1-piperazinyl)-1-piperidinyl]-5-[[6-[(3R)-3-(3,5-difluorophenyl)-2-isoxazolidinyl]-4-pyrimidinyl]amino]-4-methoxyphenyl]-
T206612(R)-N-(2-(4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl)-5-((6-(3-(3,5-difluorophenyl)isoxazolidin-2-yl)pyrimidin-4-yl)amino)-4-methoxyphenyl)acrylamideN-(2-(4-(4-cyclopropylpiperazine-1-yl)piperidine-1-yl)-5-((6-((R)-3-(3,5-difluorophenyl)isoxazolidine-2-yl)pyrimidine-4-yl)amino)-4-methoxyphenyl)acrylamideN-[2-[4-(4-Cyclopropyl-1-piperazinyl)-1-piperidinyl]-5-[[6-[(3R)-3-(3,5-difluorophenyl)-2-isoxazolidinyl]-4-pyrimidinyl]amino]-4-methoxyphenyl]-2-propenamide
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,3
- Polarare Oberfläche (TPSA)
- 98,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 12
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 48
- Formalladung
- 0
- Komplexität
- 1.060
Physikochemische Eigenschaften
- Dichte
- 1.348 · 1.348±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- 12.46 · 12.46±0.70(Predicted)
Chemie und Industrie
Anbieter4 Anbieter
上海药砌源生物科技有限公司15026428026 19002516454 · [email protected]
上海喀露蓝科技有限公司15000803246 18149758185 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]
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