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202350-68-3

202350-68-3 Structure

202350-68-3 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

PNU-159682(202350-68-3)1HNMR
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