87424-25-7

• 常用中文名：3-demethylthiocolchicine
• 常用英文名：3-demethylthiocolchicine
• CAS号：87424-25-7
• 分子式：C₂₁H₂₃NO₅S
• 分子量：401.47600
• 发布时间：2016-02-06 06:43:28
• 更新时间：2024-01-17 12:35:00

名称

• 英文名: N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
• 英文别名: N-((S)-3-Hydroxy-1,2-dimethoxy-10-methylmercapto-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamid; Acetamide,N-(5,6,7,9-tetrahydro-1,2-dimethoxy-3-hydroxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-,(S); 3-Desmethylthiocolchicine; (S)-7-Acetylamino-3-hydroxy-1,2-dimethoxy-10-methylmercapto-6,7-dihydro-5H-benzo[a]heptalen-9-on; Colchicine,O(sup 3)-demethyl-10-thio; O(sup 3)-Demethyl-10-thiocolchicine; Acetamide,N-((7S)-5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl); (S) N-[1,2-dimethoxy-3-hydroxy-10-methylthio-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl]-acetamide; 3-demethylthiocolchicine; 3-O-demethylthiocolchicine; N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide; 2-Demethylthio-colchicine; N-((S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide

物化性质

• 密度: 1.33g/cm3
• 沸点: 769ºC at 760 mmHg
• 熔点: >240ºC (dec.)
• 分子式: C₂₁H₂₃NO₅S
• 分子量: 401.47600
• 闪点: 418.9ºC
• 精确质量: 401.13000
• PSA: 110.16000
• LogP: 3.67280
• 折射率: 1.636

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : AC8586000 CHEMICAL NAME : Acetamide, N-(5,6,7,9-tetrahydro-1,2-dimethoxy-3-hydroxy-10-(met hylthio)-9-oxobenzo(a) heptalen-7-yl)-, (S)- CAS REGISTRY NUMBER : 87424-25-7 BEILSTEIN REFERENCE NO. : 3176383 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C21-H23-N-O5-S MOLECULAR WEIGHT : 401.51 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 11300 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 28,1204,1985

合成路线

2730-71-4 ~58% 87424-25-7

文献：ALBERTA HEALTH SERVICES; NATIONAL RESEARCH COUNCIL OF CANADA; TUSZYNSKI, Jack; MANE, Jonathan Y.; HUZIL, John Torin; TOMANEK, Boguslaw; BARTUSIK, Darota Patent: WO2011/22805 A1, 2011 ; Location in patent: Page/Page column 78 ;

7336-33-6 5188-07-8 ~64% 87424-25-7

文献：Muzaffar, Anjum; Chrzanowska, Maria; Brossi, Arnold Heterocycles, 1989 , vol. 28, # 1 p. 365 - 372

602-41-5 ~95% 87424-25-7

文献：The United States of America as represented by the Department of Health and Human Services Patent: US4692463 A1, 1987 ;

51296-12-9 18107-18-1 ~% 87424-26-8 87424-25-7

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 1 p. 235 - 238

64-86-8 ~% 87424-25-7

文献：WO2011/22805 A1, ;

74-93-1 ~% 87424-25-7

文献：Bulletin de la Societe Chimique de France, , p. 755,756 Bulletin de la Societe Chimique de France, , p. 198

74-93-1 7336-35-8 ~% 87424-25-7

文献：Bulletin de la Societe Chimique de France, , p. 755,756 Bulletin de la Societe Chimique de France, , p. 198

上下游产品

上游产品  9
602-41-5 2730-71-4 7336-33-6 5188-07-8
51296-12-9 18107-18-1 64-86-8 74-93-1
7336-35-8
下游产品  1
602-41-5