Valrubicin 2-氧代-2-((2S,4S)-2,5,12-三羟基-4-(((2R,4S,5S,6S)-5-羟基-6-甲基-4-(2,2,2-三氟乙酰氨基)四氢-2H-吡喃-2-基)氧基)-7-甲氧基-6,11-二氧代-1,2,3,4,6,11-六氢并四苯-2-基)乙基戊酸酯
CAS 56124-62-0 MFCD56124620
化学结构图
SMILES: C[C@@H]1O[C@H](C[C@H](NC(=O)C(F)(F)F)[C@@H]1O)O[C@H]1C[C@@](O)(CC2C1=C(O)C1=C(C(=O)C3C=CC=C(OC)C=3C1=O)C=2O)C(=O)COC(=O)CCCC
化学属性
| Mol. Weight | 723.71 |
|---|---|
| Mol. Formula | C34H36F3NO13 |
别名和识别编码
| CAS Number | 56124-62-0 |
|---|---|
| Chemical Name | Valrubicin |
| Synonym | Antibiotic AD 32 NSC-246131 Trifluoroacetyladriamycin-14-valerate N-Trifluoroacetyladriamycin-14-valerate AD 32 ######## |
| Wiswesser Line Notation | L E6 C666 BV MVT&&&J DQ HV1Q HOVXFFF KOV4 RO1 FO-BT6OTJ DZ EQ F1 |
| Chemical Name Translation | 2-氧代-2-((2S,4S)-2,5,12-三羟基-4-(((2R,4S,5S,6S)-5-羟基-6-甲基-4-(2,2,2-三氟乙酰氨基)四氢-2H-吡喃-2-基)氧基)-7-甲氧基-6,11-二氧代-1,2,3,4,6,11-六氢并四苯-2-基)乙基戊酸酯 |
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分类
- Pharmaceuticals
- Intermediates & Fine Chemicals
产品应用
- Chemotherapy drug used to treat cancer of the bladder.
相关文献及参考
- Steinberg, G., et al.: J. Urol., 163, 761 (2000),
- Christmann-Franck, S., et al.: J. Med. Chem., 47, 6840 (2004),
- McKiernan, J., et al.: J. Clin. Oncol., 24, 3075 (2006),
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 109 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986
TYPE OF TEST : DNA inhibition TEST SYSTEM : Human Lymphocyte DOSE/DURATION : 10 mg/L REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 39,448,1979
TYPE OF TEST : DNA damage TEST SYSTEM : Bacteria - Escherichia coli DOSE/DURATION : 20 mg/L REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut St
TYPE OF TEST : DNA damage TEST SYSTEM : Rodent - mouse Leukocyte DOSE/DURATION : 13800 nmol/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
TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 200 ug/plate REFERENCE : EJCODS European Journal of Cancer and Clinical Oncology. (Pergamon Press, c/o Elsevier Science, 660 White Plains Rd., Tarrytown, NY 10591) V.17(7)- 25, 1981-89. For publisher information, see EJCAEL Volume(issue)/page/year: 19,641,1983
TYPE OF TEST : Mutation test systems - not otherwise specified TEST SYSTEM : Human Lymphocyte DOSE/DURATION : 1 mg/L REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 41,2745,1981
TYPE OF TEST : Mutation test systems - not otherwise specified TEST SYSTEM : Human Lymphocyte DOSE/DURATION : 100 mg/L REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year:
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