Valrubicin

CAS: 56124-62-0

Ref. TR-V095600

Product Information

• Name: Valrubicin
• Synonyms: Pentanoic acid, 2-[(2S,4S)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(2,2,2-trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester, Pentanoic acid, 2-[(2S,4S)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester (9CI), Pentanoic acid, 2-[1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester, (2S-cis)-, AD 32, Antibiotic AD 32, N-Trifluoroacetyladriamycin 14-valerate, N-Trifluoroacetyldoxorubicin 14-valerate, NSC 246131, Trifluoroacetyladriamycin 14-valerate
• Brand: TRC

Description

Applications Chemotherapy drug used to treat cancer of the bladder.
References 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); Steinberg, G., et al.: Drug Evaluation, 2, 1009 (2001)

Chemical properties

• Molecular weight: 723.64
• Formula: C₃₄H₃₆F₃NO₁₃
• Color/Form: Neat
• InChI: InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1
• InChI key: InChIKey=ZOCKGBMQLCSHFP-KQRAQHLDSA-N
• SMILES: CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O