기본 정보
- CAS
220997-97-7- 표준 SMILES
CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(F)c(F)cc3nc2-1- InChIKey
LFQCJSBXBZRMTN-OAQYLSRUSA-N- 분자식
- C21H16F2N2O4
- 평균 분자량
- 398.4 g/mol
- 단동위원소 질량
- 398.10781332
개요
Diflomotecan is an organic heteropentacyclic compound that is (5R)-8-[(6,7-difluoroquinolin-3-yl)methyl]-5-ethyl-5-hydroxy-1,4,5,8-tetrahydrooxepino[3,4-c]pyridine-3,9-dione in which position 7 of the oxepinopyridine moiety is joined to position 3 of the difluoroquinoine ring by a single bond. An E-ring modified camptothecin analogue that has greater lactone stability in plasma compared with other topoisomerase I inhibitors. It has a role as an antineoplastic agent and an EC 5.99.1.2 (DNA topoisomerase) inhibitor. It is a tertiary alcohol, an organofluorine compound, an organonitrogen heterocyclic compound, an organic heteropentacyclic compound and an epsilon-lactone. It is functionally related to a (R)-homocamptothecin.
이름 및 식별자
- 우선 이름
- Diflomotecan
- IUPAC
- (20R)-20-ethyl-6,7-difluoro-20-hydroxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione
- 영어명
- DifloMotecan
- 분자식
- C21H16F2N2O4
- 분자량
- 398.36
이름 및 동의어
Diflomotecan220997-97-7BN 80915diflomotecanumBN-80915QKT1LC4J1PBN80915CHEBI:144046DTXSID201026358(5R)-5-Ethyl-9,10-difluoro-1,4,5,13-tetrahydro-5-hydroxy-3H,15H-oxepino(3',4':6,7)indolizino(1,2-b)quinoline-3,15-dioneRefChem:133571DTXCID301510588
이름 더 보기
DifloomotecanPubChem ID: 2190233H,15H-Oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione, 5-ethyl-9,10-difluoro-1,4,5,13-tetrahydro-5-hydroxy-, (5R)-
Diflomotecan [INN](20R)-20-ethyl-6,7-difluoro-20-hydroxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione3H,15H-Oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione,5-ethyl-9,10-difluoro-1,4,5,13-tetrahydro-5-hydroxy-, (5R)-(5r)-5-ethyl-9,10-difluoro-5-hydroxy-1,4,5,13-tetrahydro-3h,15h-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dioneUNII-QKT1LC4J1PDIFLOMOTECAN [WHO-DD]CHEMBL306280SCHEMBL1650167
데이터베이스 식별자
- CAS
220997-97-7- PubChem CID
- 219023
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 79.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 827
화학 및 산업
응용 분야
용도Difloomotecan is a homocamptothecin that targets DNA topoisomerase I. Difloomotecan is used in cancer therapy.
공급사9 곳
Shochem(Shanghai) Co.,Ltd86-21-50800795 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
兰州安杰利生物化学科技有限公司0931-8235634 13321316780 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]
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