(4aS,6R,7S,7aR)-6-(4-((S)-2,3-dihydro-1H-inden-1-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(4-methoxyphenyl)hexahydrocyclopenta[d][1,3]dioxin-7-ol

HCID 67164240
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기본 정보

CAS
905580-87-2
표준 SMILES
COc1ccc(C2OC[C@@H]3C[C@@H](n4ccc5c(N[C@H]6CCc7ccccc76)ncnc54)[C@H](O)[C@@H]3O2)cc1
InChIKey
MPHAQTOCAUGHAB-DCLRHRAMSA-N
분자식
C29H30N4O4
평균 분자량
498.6 g/mol

이름 및 식별자

우선 이름
(4aS,6R,7S,7aR)-6-(4-((S)-2,3-dihydro-1H-inden-1-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(4-methoxyphenyl)hexahydrocyclopenta[d][1,3]dioxin-7-ol
IUPAC
(4aS,6R,7S,7aR)-6-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(4-methoxyphenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]dioxin-7-ol
영어명
(4aS,6R,7S,7aR)-6-[4-[[(1S)-2,3-Dihydro-1H-inden-1-yl]aMino]-7H-pyrrolo[2,3-d]pyriMidin-7-yl]hexahydro-2-(4-Methoxyphenyl)-cyclopenta-1,3-dioxin-7-ol
분자식
C29H30N4O4
분자량
498.57

이름 및 동의어

905580-87-2(4aS,6R,7S,7aR)-6-[4-[[(1S)-2,3-Dihydro-1H-inden-1-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]hexahydro-2-(4-methoxyphenyl)-cyclopenta-1,3-dioxin-7-ol(4aS,6R,7S,7aR)-6-(4-((S)-2,3-dihydro-1H-inden-1-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(4-methoxyphenyl)hexahydrocyclopenta[d][1,3]dioxin-7-ol(4aS,6R,7S,7aR)-6-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(4-methoxyphenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]dioxin-7-olSCHEMBL1796561MPHAQTOCAUGHAB-DCLRHRAMSA-N(4aS,6R,7S,7aR)-6-[4-[[(1S)-2,3-Dihydro-1H-inden-1-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]hexahyd(4AS,6R,7S,7aR)-6-(4-(((S)-2,3-dihydro-1H-inden-1-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(4-methoxyphenyl)hexahydrocyclopenta[d][1,3]dioxin-7-ol(4as,6r,7s,7ar)-6-{4-[(1S)-2,3-dihydro-1h-inden-1-ylamino]-7h-pyrrolo-[2,3-d]pyrimidin-7-yl}-2-(4-methoxyphenyl)hexahydrocyclopenta[d][1,3]dioxin-7-olCyclopenta-1,3-dioxin-7-ol, 6-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]hexahydro-2-(4-methoxyphenyl)-, (4aS,6R,7S,7aR)-

데이터베이스 식별자

CAS
905580-87-2
PubChem CID
67164240

물성

구조 계산 물성

XLogP
3.7
극성 표면적
90.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
5
무거운 원자 수
37

물리화학적 성질

용해도
디클로로메탄, 에틸아세테이트, 메탄올에 용해됨
물리적 상태
포말 모양
색상
회백색

화학적 성질

Off-white Foam

화학 및 산업

응용 분야 · 1건

용도(4aS,6R,7S,7aR)-6-[4-[[(1S)-2,3-Dihydro-1H-inden-1-yl]aMino]-7H-pyrrolo[2,3-d]pyriMidin-7-yl]hexahydro-2-(4-Methoxyphenyl)-cyclopenta-1,3-dioxin-7-ol is used in the preparation of nucleoside derivatives as antitumor agents, E1 activating enzymes and MLN4924, an inhibitor of NEDD8-activating enzyme.

공급사5 곳

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [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17721401538;17717235263 17721401538 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

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