| Identification | Back Directory | [Name]
TES-991 | [CAS]
1883602-20-7 | [Synonyms]
TES-991
TES991,TES 991
5-Pyrimidinecarbonitrile, 1,6-dihydro-6-oxo-2-[[[3-(2H-tetrazol-5-yl)phenyl]methyl]thio]-4-(2-thienyl)- | [Molecular Formula]
C17H11N7OS2 | [MDL Number]
MFCD31715440 | [MOL File]
1883602-20-7.mol | [Molecular Weight]
393.45 |
| Chemical Properties | Back Directory | [Boiling point ]
656.7±65.0 °C(Predicted) | [density ]
1.61±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 62.5 mg/mL (158.85 mM);Water : < 0.1 mg/mL (insoluble) | [form ]
Solid | [pka]
4.18±0.10(Predicted) | [color ]
Light yellow to yellow |
| Hazard Information | Back Directory | [Uses]
TES-991 is a potent and selective human α Amino-β-carboxymuconate-ε-semialdehyde Decarboxylase (ACMSD) inhibitor, with an IC50 of 3 nM. | [in vivo]
After the intravenous administration of 0.5 mg/kg, TES-991 (compound 21) shows low blood clearance, with low volumes of distribution and halflives (t1/2) of about 4.0 and 5.0 h, respectively, although after oral administration at 5 mg/kg, the blood concentrations of TES-991 is quantifiable for up to 8 h. A moderate systemic exposure is observed for the 2H-tetrazole analogue, TES-991, a good systemic exposure is recorded for the free acid[1]. | [References]
[1] Pellicciari R, et al. α-Amino-β-carboxymuconate-ε-semialdehyde Decarboxylase (ACMSD) Inhibitors as Novel Modulators of De Novo Nicotinamide Adenine Dinucleotide (NAD+) Biosynthesis. J Med Chem. 2018 Feb 8;61(3):745-759. DOI:10.1021/acs.jmedchem.7b01254 |
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