기본 정보
- CAS
2489185-38-6- 표준 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- 분자식
- C35H42F2N8O3
- 평균 분자량
- 660.8 g/mol
- 단동위원소 질량
- 660.33479356
개요
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.
이름 및 식별자
- 우선 이름
- 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
- 영어명
- 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
- 분자식
- C35H42F2N8O3
- 분자량
- 660.76
이름 및 동의어
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
이름 더 보기
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
데이터베이스 식별자
- CAS
2489185-38-6- PubChem CID
- 155696192
- UNII
- DU24UP8R94
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 98.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,060
물리화학적 성질
- 밀도
- 1.348 · 1.348±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- 산도 계수 (pKa)
- 12.46 · 12.46±0.70(Predicted)
화학 및 산업
공급사4 곳
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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