| Identification | Back Directory | [Name]
TES-1025 | [CAS]
1883602-21-8 | [Synonyms]
TES-1025
inhibit,Inhibitor,TES 1025,TES1025,TES-1025
Benzeneacetic acid, 3-[[[5-cyano-1,6-dihydro-6-oxo-4-(2-thienyl)-2-pyrimidinyl]thio]methyl]-
2-(3-(((5-cyano-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyrimidin-2-yl)thio)methyl)phenyl)acetic acid | [Molecular Formula]
C18H13N3O3S2 | [MDL Number]
MFCD31657384 | [MOL File]
1883602-21-8.mol | [Molecular Weight]
383.44 |
| Chemical Properties | Back Directory | [Boiling point ]
602.4±65.0 °C(Predicted) | [density ]
1.45±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 100 mg/mL (260.80 mM) | [form ]
Solid | [pka]
4.23±0.10(Predicted) | [color ]
White to yellow |
| Hazard Information | Back Directory | [Uses]
TES-1025 is a potent and selective human α-amino-β-carboxymuconate-ε-semialdehyde decarboxylase (ACMSD) inhibitor with an IC50 of 13 nM[1]. | [in vivo]
TES-1025 is subjected to in vivo pharmacokinetic studies, following intravenous (IV) and oral (PO) dosings of male CD-1 mice. After the intravenous administration of 0.5 mg/kg, TES-1025 shows low blood clearance, with low volumes of distribution and half-lives (t1/2) of about 5.33 h, although after oral administration at 5 mg/kg, the blood concentration of TES-1025 is quantifiable for up to 8 h. A good systemic exposure is recorded for TES-1025, with a Cmax of 2570 ng/mL reaches at 2 h after dosing. The greater oral exposure of TES-1025 is further confirmed in the liver and kidneys with AUC0-8h of 19 200 h ng/mL and 36 600 h ng/mL, respectively[1]. | [storage]
Store at -20°C | [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 |
|
|