| Identification | Back Directory | [Name]
PNU-159682 | [CAS]
202350-68-3 | [Synonyms]
PNU-159682
PNU-159682 95%
PNU-159682 >95%
(8S,10S)-7,8,9,10-Tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[(1S,3R,4aS,9S,9aR,10aS)-octahydro-9-methoxy-1-methyl-1H-pyrano[4',3':4,5]oxazolo[2,3-c][1,4]oxazin-3-yl]oxy]-5,12-naphthacenedione
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[(1S,3R,4aS,9S,9aR,10aS)-octahydro-9-methoxy-1-methyl-1H-pyrano[4',3':4,5]oxazolo[2,3-c][1,4]oxazin-3-yl]oxy]-, (8S,10S)- | [Molecular Formula]
C32H35NO13 | [MDL Number]
MFCD12756329 | [MOL File]
202350-68-3.mol | [Molecular Weight]
641.62 |
| Chemical Properties | Back Directory | [Boiling point ]
838.5±65.0 °C(Predicted) | [density ]
1.58±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [solubility ]
DMSO: 2mg/mL, clear | [form ]
Solid | [pka]
7.34±0.60(Predicted) | [color ]
Reddish Brown to red | [InChIKey]
SLURUCSFDHKXFR-WWMWMSKMSA-N | [SMILES]
C1(OC)=C2C(C(=O)C3=C(C2=O)C(O)=C2C(C[C@@](O)(C(CO)=O)C[C@@H]2O[C@@H]2O[C@@H](C)[C@@]4([H])O[C@@]5([H])N([C@@]4([H])C2)CCO[C@@H]5OC)=C3O)=CC=C1 |
| Hazard Information | Back Directory | [Characteristics]
PNU-159682, a metabolite of the anthracycline neomycin metabolite, is a DNA topoisomerase I (TopoI) inhibitor with excellent cytotoxicity. It is a more potent and tolerable ADC cytotoxin than doxorubicin in ADC synthesis. | [Uses]
PNU-159682 can be used in EDV nanocell technology to overcome drug resistance. | [Biological Activity]
PNU-159682an active nemorubicin metaboliteis a highly potent anthracycline toxin th at retains antitumor activity in vivo. Similarly to other anthracyclines PNU-159682 intercalates between the CG base pairs of DNAbut the stability of the complexes is much higher. |
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