26295-56-7

• 常用中文名：N-三氟乙酰基阿霉素
• 常用英文名：N-Trifluoroacetyldoxorubicin
• CAS号：26295-56-7
• 分子式：C₂₉H₂₈F₃NO₁₂
• 分子量：639.52700
• 发布时间：2017-10-11 08:46:05
• 更新时间：2026-08-28 13:26:44
• N-Trifluoroacetyladriamycin is a metabolite of valrubicin. Valrubicin (N-trifluoroacetyladriamycin-14-valerate, trade name Valstar) is a chemotherapy drug used to treat bladder cancer. Valrubicin is a semisynthetic analog of the anthracycline doxorubicin, and is administered by infusion directly into the bladder. It was originally launched as Valstar in the U.S.

名称

• 中文名: N-三氟乙酰基阿霉素
• 英文名: N-Trifluoroacetyldoxorubicin
• 中文别名: 2,2,2-三氟-N-((2S,3S,4S,6R)-3-羟基-2-甲基-6-(((1S,3S)-3,5,12-三羟基-3-(2-羟基乙酰基)-10-甲氧基-6,11-二氧代-1,2,3,4,6,11-六氢并四苯-1-基)氧基)四氢-2H-吡喃-4-基)乙酰胺 (多柔比星杂质); N-三氟乙酰阿霉素
• 英文别名: N-Trifluoroacetyladriamycin; (1S,3S)- α-2,3,6-trideoxy-3-(2,2,2-trifluoroacetaMido)-3-glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-Methoxy-6,11-dioxo-1-naphthacenyl L-lyxo-Hexopyranoside; 2,2,2-Trifluoro-N-((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)acetamide (Doxorubicin Impurity); AD-41; 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(2,2,2-trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S); (8S,10S)-7,8,9,10-Tetrahydro-8-(hydroxyacetyl)-1-methoxy-10-[[3-(trifluoroacetylamino)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-6,8,11-trihydroxy-5,12-naphthacenedione; (8S-cis)-7,8,9,10-Tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-Methoxy-10-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione

物化性质

• 密度: 1.66g/cm3
• 沸点: 855.4ºC at 760 mmHg
• 分子式: C₂₉H₂₈F₃NO₁₂
• 分子量: 639.52700
• 闪点: 471.1ºC
• 精确质量: 639.15600
• PSA: 209.15000
• LogP: 1.11200
• 蒸汽压: 3.7E-31mmHg at 25°C
• 折射率: 1.656

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : QI9428000 CHEMICAL NAME : 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(hydroxyacetyl)-1-methoxy-10-(( 2,3,6-trideoxy- 3-(trifluoroacetamido)-alpha-L-lyxo-hexopyranosyl)oxy )-6,8,11-trihydroxy-, (8S-cis)- CAS REGISTRY NUMBER : 26295-56-7 LAST UPDATED : 199612 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C29-H28-F3-N-O12 MOLECULAR WEIGHT : 639.58 WISWESSER LINE NOTATION : L E6 C666 BV MVT&&&J DQ HV1Q HQ KQ RO1 FO- FT6OTJ B1 CQ DMVXFFF HEALTH HAZARD DATA ACUTE TOXICITY DATA MUTATION DATA TYPE OF TEST : DNA damage TEST SYSTEM : Rodent - mouse Leukocyte DOSE/DURATION : 9 umol/L REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 41,1006,1981

合成路线

383-64-2 25316-40-9 ~86% 26295-56-7

文献：Acton; Tong Journal of Medicinal Chemistry, 1981 , vol. 24, # 6 p. 669 - 673

25316-40-9 407-25-0 ~88% 26295-56-7

文献：Zhang, Yifei; Dai, Yang; Hou, Miao; Li, Tian; Ge, Jun; Liu, Zheng RSC Advances, 2013 , vol. 3, # 45 p. 22963 - 22966

23214-92-8 ~82% 26295-56-7

文献：Berube; Richardson; Ford Synthetic Communications, 1991 , vol. 21, # 7 p. 931 - 944

23214-92-8 383-63-1 ~82% 26295-56-7

文献：Berube; Lepage Synthetic Communications, 1998 , vol. 28, # 6 p. 1109 - 1116

上下游产品

上游产品  5
383-64-2 25316-40-9 407-25-0 23214-92-8
383-63-1
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56124-62-0