기본 정보
- CAS
1304788-26-8- 표준 SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(COC(C)=O)c(OC(C)=O)ccc3nc2-1- InChIKey
MVLFOFWXHDKDEZ-VWLOTQADSA-N- 분자식
- C25H22N2O8
- 평균 분자량
- 478.4 g/mol
- 단동위원소 질량
- 478.13761566
이름 및 식별자
- 우선 이름
- (4S)-9-(Acetyloxy)-10-[(acetyloxy)methyl]-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
- IUPAC
- [(19S)-7-acetyloxy-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-8-yl]methyl acetate
- 영어명
- (4S)-9-(Acetyloxy)-10-[(acetyloxy)Methyl]-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
- 분자식
- C25H22N2O8
- 분자량
- 478.45
이름 및 동의어
1304788-26-8(4S)-9-(Acetyloxy)-10-[(acetyloxy)methyl]-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione[(19S)-7-Acetyloxy-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-8-yl]methyl acetate(S)-(9-Acetoxy-4-ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-10-yl)methyl acetateCHEMBL1760001(4S)-9-(Acetyloxy)-10-[(acetyloxy)methyl]-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]qui(4S)-9-(Acetyloxy)-10-[(acetyloxy)methyl]-4-ethyl-4-hydroxy-1H-pyrano[3,4:6,7]indolizino[1,2-beta]quinoline-3,14(4H,12H)-dione1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 9-(acetyloxy)-10-[(acetyloxy)methyl]-4-ethyl-4-hydroxy-, (4S)-(4S)-9-(Acetyloxy)-10-[(acetyloxy)methyl]-4-ethyl-4-hydroxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, CAS 1304788-26-8
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 1,030
물리화학적 성질
- 녹는점
- 236 · 236-239 °C
- 끓는 점
- 825.3 · 825.3±65.0 °C(Predicted)
- 밀도
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 용해도
- DMSO, 메탄올, 물에 용해됨
- 산도 계수 (pKa)
- 11.2 · 11.20±0.20(Predicted)
- 물리적 상태
- 고체
- 색상
- 노란색
화학 및 산업
응용 분야
용도(4S)-9-(Acetyloxy)-10-[(acetyloxy)methyl]-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione is an intermediate in the synthesis of Camptothecin analogs for the inhibition of topoisomerase I and antitumor activity.
공급사6 곳
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…