기본 정보
- CAS
870281-85-9- 표준 SMILES
CC[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(F)c2c(=O)n1-c1ccccc1- InChIKey
QFOZQYXYXFTQNB-INIZCTEOSA-N- 분자식
- C22H24FN3O3
- 평균 분자량
- 397.4 g/mol
이름 및 식별자
- 우선 이름
- tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl]carbamate
- IUPAC
- tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl]carbamate
- 영어명
- (S)-tert-butyl (1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbaMate
- 분자식
- C22H24FN3O3
- 분자량
- 397.44
이름 및 동의어
870281-85-9tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl]carbamatetert-butyl N-((1S)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl)carbamateRefChem:894778811-703-4(S)-tert-butyl (1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbaMateMFCD28134524(S)-[1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydro-quinazolin-2-yl)-propyl]-carbamic acid tert-butyl esterC22H24FN3O3(S)-tert-butyl 1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propylcarbamatetert-butyl (S)-(1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamateidelalisib N-2
이름 더 보기
CAL-101(N-2)Carbamic acid,[(1S)-1-(5-fluoro-3,4-dihydro-4-oxo-3-phenyl-2...(S)-tert-butyl (1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbaMate(CAL101 N-2 step)[(1S)-1-(5-Fluoro-3,4-dihydro-4-oxo-3-phenyl-2-quinazolinyl)propyl]carbamic acid 1,1-dimethylethyl esterCarbamic acid,[(1S)-1-(5-fluoro-3,4-dihydro-4-oxo-3-phenyl-2-quinazolinyl)propyl]-,1,1-dimethylethyl ester
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 71 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 640
물리화학적 성질
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 11.39 · 11.39±0.46(Predicted)
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
응용 분야
용도tert-Butyl (1-(5-Fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2(1H)-ylidene)propyl)carbamate is a reagent used in the discovery of a phosphoinositide 3-kinase (PI3K) b/d inhibitor for treatment of phosphatase and tensin homolog (PTEN) deficient tumors.
상·하류 제품 정보
상류 원료
하류 제품
공급사78 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
관련 반응
3건
화합물 노트
불러오는 중…