Vinzolidine
기본 정보
- CAS
67699-40-5- 표준 SMILES
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@]5(OC(=O)N(CCCl)C5=O)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1- InChIKey
MMRCWWRFYLZGAE-ZBZRSYSASA-N- 분자식
- C48H58ClN5O9
- 평균 분자량
- 884.5 g/mol
- 단동위원소 질량
- 883.3923061
개요
Vinzolidine is an orally active semisynthetic vinca alkaloid with potential antineoplastic activity. Like other vinca alkaloid compounds, vinzolidine binds to and stabilizes tubulin molecules, thereby interfering with microtubule assembly/disassembly dynamics. As a result, vinzolidine prevents mitotic spindle formation and leads to cell cycle arrest in metaphase.
이름 및 식별자
- 우선 이름
- Vinzolidine
- IUPAC
- methyl (13S,15R,17S)-13-[(1'R,5S,9'R,11'R,12'R,19'R)-11'-acetyloxy-3-(2-chloroethyl)-12'-ethyl-5'-methoxy-8'-methyl-2,4-dioxospiro[1,3-oxazolidine-5,10'-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene]-4'-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
이름 및 동의어
VinzolidineVinzolidinaVinzolidinum533U947V6Q67699-40-52H-3,7-Methanoazacycloundecino(5,4-b)indole-9-carboxylic acid, 9-((2-beta,3-beta,4-beta,5-alpha,12-beta,19-alpha)-4-(acetyloxy)-3'-(2-chloroethyl)-6,7-didehydro-16-methoxy-1-methyl-2',4'-dioxospiro(aspidospermidine-3,5'-oxazolidin)-15-yl)-5-ethyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-, methyl ester, (3R-(3R*,5S*,7R*,9S*))-DTXSID10867308RefChem:194350DTXCID10815501266-915-4Vinzolidine [INN]Vinzolidinum [INN-Latin]
이름 더 보기
Vinzolidina [INN-Spanish]UNII-533U947V6QEINECS 266-915-4BRN 1070206CHEMBL3991434SCHEMBL29824738MMRCWWRFYLZGAE-ZBZRSYSASA-NHY-106072
데이터베이스 식별자
- CAS
67699-40-5- PubChem CID
- 6917791
- ChEMBL
CHEMBL3991434
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 154 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 63
- 형식 전하
- 0
- 복잡도
- 1,890
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