For research use only. Not for therapeutic Use.
Cyanosafracin B is a starting material for synthesis of Ecteinascidin ET-743 and Phthalascidin Pt-650[1].
| Catalog Number | I044654 |
| CAS Number | 96996-50-8 |
| Synonyms | (2S)-2-amino-N-[[(1R,2S,10R,12R,13S)-12-cyano-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl]propanamide |
| Molecular Formula | C29H35N5O6 |
| Purity | ≥95% |
| InChI | InChI=1S/C29H35N5O6/c1-12-7-15-8-17-19(10-30)34-18(23(33(17)4)21(15)25(36)27(12)39-5)9-16-22(20(34)11-32-29(38)14(3)31)26(37)28(40-6)13(2)24(16)35/h7,14,17-20,23,36H,8-9,11,31H2,1-6H3,(H,32,38)/t14-,17-,18-,19-,20-,23-/m0/s1 |
| InChIKey | BHINEHROXMLHMV-BVRLQDJESA-N |
| SMILES | CC1=CC2=C(C3C4CC5=C(C(N4C(C(C2)N3C)C#N)CNC(=O)C(C)N)C(=O)C(=C(C5=O)C)OC)C(=C1OC)O |
| Reference | [1]. Cuevas C, et, al. Synthesis of ecteinascidin ET-743 and phthalascidin Pt-650 from cyanosafracin B. Org Lett. 2000 Aug 10;2(16):2545-8. |
