ChemicalBook--->CAS DataBase List--->1883602-21-8

1883602-21-8

1883602-21-8 Structure

1883602-21-8 Structure
IdentificationBack 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 PropertiesBack 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
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
[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
Spectrum DetailBack Directory
[Spectrum Detail]

TES-1025(1883602-21-8)1HNMR
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