ChemicalBook--->CAS DataBase List--->590368-25-5

590368-25-5

590368-25-5 Structure

590368-25-5 Structure
IdentificationBack Directory
[Name]

WX-671/Mesupron
[CAS]

590368-25-5
[Synonyms]

WX-671
UPAMOSTAT
WX-671/Mesupron
Mesupron(WX 671)
Mesupron(Upamostat)
HUASEDVYRABWCV-NDEPHWFRSA-N
4-[(2S)-3-[3-[(Hydroxyamino)iminomethyl]phenyl]-1-oxo-2-[[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino]propyl]-1-piperazinecarboxylic acid ethyl ester
1-Piperazinecarboxylic acid, 4-[(2S)-3-[3-[(hydroxyamino)iminomethyl]phenyl]-1-oxo-2-[[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino]propyl]-, ethyl ester
[Molecular Formula]

C32H47N5O6S
[MDL Number]

MFCD20526529
[MOL File]

590368-25-5.mol
[Molecular Weight]

629.81
Chemical PropertiesBack Directory
[Boiling point ]

761.3±70.0 °C(Predicted)
[density ]

1.25
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : ≥ 250 mg/mL (396.95 mM)
[form ]

Solid
[pka]

6.99±0.69(Predicted)
[color ]

White to off-white
[InChIKey]

CYCFEEXTLQGJEL-LJAQVGFWSA-N
[SMILES]

N1(C(OCC)=O)CCN(C(=O)[C@@H](NS(C2=C(C(C)C)C=C(C(C)C)C=C2C(C)C)(=O)=O)CC2=CC=CC(C=NNO)=C2)CC1
Hazard InformationBack Directory
[Uses]

WX 671 is the oral pro-drug of the active metabolite WX-UK1, a uPA inhibitor.
[in vivo]

The validated method is used to evaluate the pharmacokinetics of Upamostat (Mesupron) in rats. The mean plasma concentrations of Upamostat after a single intravenous injection of 2 mg/kg in five rats are measured. The substance decays in a mono-phasic pattern with a terminal half-life of 0.5 h; its volume of distribution is 2.0 L/kg, and clearance is about 2.7 L/h/kg[3].

[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

WX-671/Mesupron(590368-25-5)1HNMR
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