CAS 879127-07-8 EGFR inhibitor (HCID 9549299)

기본 정보

CAS: 879127-07-8
표준 SMILES: O=C(Nc1cccc(Nc2cc(Nc3cccc(C(F)(F)F)c3)ncn2)c1)C1CC1
InChIKey: YOHYSYJDKVYCJI-UHFFFAOYSA-N
분자식: C21H18F3N5O
평균 분자량: 413.4 g/mol
단동위원소 질량: 413.1463447

개요

Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitor is any agent that inhibits the activity of the epidermal growth factor receptor (EGFR) tyrosine kinase.

이름 및 식별자

우선 이름: EGFR inhibitor
IUPAC: N-[3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
현지명: EGFR억제제
영어명: EGFR inhibitor
분자식: C21H18F3N5O
분자량: 413.4

이름 및 동의어

EGFR Inhibitor879127-07-8N-(3-((6-((3-(Trifluoromethyl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)cyclopropanecarboxamideDTXSID40429554N-{3-[(6-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}cyclopropanecarboxamideN-[3-[[6-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamideEGFR BlockerEGFR-TK InhibitorRefChem:136350EGFR Tyrosine Kinase InhibitorEGFR Tyrosine Kinase InhibitorsDTXCID30380387

이름 더 보기

EGFR억제제EGFR inhibitor(YUN27078)EGFR-IN-12, 10 mM in DMSOEGFR-IN-12 (EGFR Inhibitor)EGFR Inhibitor [879127-07-8]EGFR Inhibitor [879127-07-8] - EGFR Inhibitor 324674CyclopropanecarboxaMide, N-[3-[[6-[[3-(trifluoroMethyl)phenyl]aMino]-4-pyriMidinyl]aMino]phenyl]-

Epidermal Growth Factor Receptor InhibitorEpidermal Growth-Factor Receptor InhibitorsEPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITOREGFR-IN-12N-[3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamideEGFR Inhibitor 324674CHEMBL387187MFCD13191284

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 78.9 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 8
회전 가능 결합 수: 6
무거운 원자 수: 30
형식 전하: 0
복잡도: 585

물리화학적 성질

끓는 점: 605.9 · 605.9±55.0 °C(Predicted)
밀도: 1.456 · 1.456±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: 2 O; · insoluble in H2O; insoluble in EtOH; ≥60.7 mg/mL in DMSO
물리적 상태: 결정질 고체
산도 계수 (pKa): 14.5 · 14.50±0.70(Predicted)
색상: Off-white to light yellow
InChI: 1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28)
InChIKey: YOHYSYJDKVYCJI-UHFFFAOYSA-N
SMILES: FC(F)(F)c1cc(ccc1)Nc2ncnc(c2)Nc3cc(ccc3)NC(=O)C4CC4

안전 및 규제

안전 데이터

wgk: WGK 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도EGFR Inhibitor is a highly selective, cell-permeable EGFR inhibitor.

공급사46 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海乾豪生物科技有限公司13524877553

上海冬洋生物科技有限公司0512-13601744364 13601744364

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]

화합물 노트

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EGFR억제제