기본 정보
- CAS
54526-94-2- 표준 SMILES
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](O)[C@H]1OC)[C@H](OC)[C@](C)(O)C3=O- InChIKey
VHJWDTPKSIFZBV-IDORXPLKSA-N- 분자식
- C29H32O13
- 평균 분자량
- 588.6 g/mol
- 단동위원소 질량
- 588.18429107
개요
CID 9894712 has been reported in Streptomyces with data available.
이름 및 식별자
- 우선 이름
- 1,6,11(2H)-Naphthacenetrione, 4-((6-deoxy-2,4-di-O-methyl-alpha-L-mannopyranosyl)oxy)-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-
- IUPAC
- (2S,3S,4R)-2,5,7-trihydroxy-4-[(2S,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
- 현지명
- 스테피마이신B
- 영어명
- STEFFIMYCIN B
- 분자식
- C29H32O13
- 분자량
- 588.56
이름 및 동의어
54526-94-2NSC 204855NSC204855U 40615orb3133156CHEMBL53976171,6,11(2H)-Naphthacenetrione, 4-((6-deoxy-2,4-di-O-methyl-alpha-L-mannopyranosyl)oxy)-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-2,5,7-trihydroxy-4-[(2S,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trioneHY-N8470MFCD01713106CID 9894712CS-0144625
이름 더 보기
스테피마이신Bu40615STEFFIMYCIN BSteffimycin 4'-methyl ether5,7-trihydroxy-3,9-dimethoxy-2-methyl-l)oxy)-4-dihydro-21,6,11(2h)-naphthacenetrione,4-((6-deoxy-2,4-di-o-methyl-alpha-l-mannopyranosy4-(2-O,4-O-Dimethyl-α-L-rhamnopyranosyloxy)-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-1,6,11(2H)-naphthacenetrione4-[(2-O,4-O-Dimethyl-6-deoxy-α-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-1,6,11(2H)-naphthacenetrione
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 188 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,050
물리화학적 성질
- 끓는 점
- 801.2 · 801.2±65.0 °C(Predicted)
- 밀도
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMF: soluble; DMSO: soluble; Ethanol: soluble; Methanol: soluble
- 물리적 상태
- A lyophilisate
- 산도 계수 (pKa)
- 5.09 · 5.09±0.70(Predicted)
화학 및 산업
응용 분야
용도Steffimycin B is an anthracycline metabolite isolated from a Streptomyces sp., with antibacterial and antineoplastic properties. Crystallographic studies of binding to DNA suggest that it has a higher CpG base sequence specificity over the TpA step, similar to that of daunorubicin and nogalamycin. A close analogue was shown to be active against ras oncogene-expressed cells.
공급사14 곳
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
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