For research use only. Not for therapeutic Use.
Berubicin (RTA 744 free base; WP 744) is a 4′-O-benzyldoxorubicin that inhibits P-gp and MRP1-mediated efflux and has anticancer activity. Berubicin inhibits glioblastoma multiforme (GBM) and exhibits cytotoxicity. Berubicin has poor bioavailability in mice[1].
| Catalog Number | I040080 |
| CAS Number | 677017-23-1 |
| Synonyms | (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-phenylmethoxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione |
| Molecular Formula | C34H35NO11 |
| Purity | ≥95% |
| InChI | InChI=1S/C34H35NO11/c1-16-33(44-15-17-7-4-3-5-8-17)20(35)11-24(45-16)46-22-13-34(42,23(37)14-36)12-19-26(22)32(41)28-27(30(19)39)29(38)18-9-6-10-21(43-2)25(18)31(28)40/h3-10,16,20,22,24,33,36,39,41-42H,11-15,35H2,1-2H3/t16-,20-,22-,24-,33+,34-/m0/s1 |
| InChIKey | FIGNGSHKNAHTSH-JJMFXPFOSA-N |
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OCC6=CC=CC=C6 |
| Reference | [1]. Kazerooni R, et al. Phase I clinical pharmacokinetics of RTA 744 (berubicin (B)), a blood-brain barrier penetrating anthracycline active against high grade glioma, and evaluation of its 13-hydroxy metabolite, berubicinol (B-ol)[J]. Molecular Cancer Therapeutics, 2007, 6(11_Supplement): B101-B101. |
