기본 정보
- CAS
35082-49-6- 표준 SMILES
COc1c(O)c2c(=O)cc3c4c5c(cc(=O)c6c(O)c(OC)c(C[C@@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3- InChIKey
MXLWQNCWIIZUQT-GHMZBOCLSA-N- 분자식
- C29H26O10
- 평균 분자량
- 534.5 g/mol
- 단동위원소 질량
- 534.15259702
개요
Cercosporin is an organic heterohexacyclic compound that is perylo[1,12-def][1,3]dioxepine-6,11-dione substituted by hydroxy groups at positions 5 and 12, by methoxy groups at positions 7 and 10, and by 2-hydroxypropyl groups at positions 8 and 9 (the R,R-stereoisomer). It is a phytotoxin which was first isolated from the pathogenic soybean fungus, Cercospora kikuchii and later found in multiple members of the genus Cercospora. It has a role as a phytotoxin, a photosensitizing agent, a reactive oxygen species generator and a fungal metabolite. It is a polyketide, a polyphenol and an organic heterohexacyclic compound. It is a conjugate acid of a cercosporin(2-).
이름 및 식별자
- 우선 이름
- (+)-Cercosporin
- IUPAC
- 7,19-dihydroxy-5,21-bis[(2R)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione
- 현지명
- 세르코스포린
- 영어명
- CERCOSPORIN
- 분자식
- C29H26O10
- 분자량
- 534.51
이름 및 동의어
(+)-Cercosporin7,19-dihydroxy-5,21-bis[(2R)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione7,19-dihydroxy-5,21-bis((2R)-2-hydroxypropyl)-6,20-dimethoxy-12,14-dioxahexacyclo(13.8.0.02,11.03,8.04,22.018,23)tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dioneRefChem:196323CERCOSPORIN35082-49-6DK0O6YH55GUNII-DK0O6YH55GCHEBI:3556NSC-153111NSC 153111SCHEMBL498747
이름 더 보기
세르코스포린CGP-049090CGP049090, NSC 153111CGP-049090 (CGP049090Cercosporin, PKC inhibitorCERCOSPORIN FROM CERCOSPORA HAYII6,12-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def]-1,3-dioxepin-5,11-dione6,12-Dihydroxy-7,10-dimethoxy-8,9-bis[(R)-2-hydroxypropyl]perylo[1,12-def]-1,3-dioxepin-5,11-dione
orb3172795CHEMBL2047182DTXSID40891853NS00094910T13605AL-641/21118002Q634098125,12-dihydroxy-8,9-bis[(2R)-2-hydroxypropyl]-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-6,11-dione
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 152 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 988
물리화학적 성질
- 녹는점
- 260 ℃ · 260℃
- 끓는 점
- 894.7 · 894.7±65.0 °C(Predicted)
- 밀도
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 9.8 · 클로로포름: 용해성9.80 - 10.20mg/mL, 투명, 빨간색~적갈색
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 7.76 · 7.76±0.20(Predicted)
- 색상
- 진한 빨간색
- InChIKey
- JWFLIMIGORGZMQ-UHFFFAOYSA-N
- SMILES
- COC1=C(CC(C)O)c2c3c(CC(C)O)c(OC)c(O)c4C(=O)C=C5OCOc6cc(O)c(C1=O)c2c6c5c34
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 2932990090
- hazard_code
- Xn
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Cercosporin is a perylenequinone reported in 1957 as the causative agent of soy bean purple speck disease due to the fungal pathogen, Cercsopsorium kikuchii, which is widely found in species of the Cercosporium genus. Cercosporin phytotoxicity is light-activated and this process contributes to a wider biological profile as a photodynamic antiviral and antitumor active. Cercosporin (CGP049090) is an antagonist of Tcf4/b-catenin signalling, inhibiting the expression of survivin and inducing apoptosis in several tumour cell lines.
공급사26 곳
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
銳迪國際科技有限公司18024082417 · [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]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
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