| Identification | Back Directory | [Name]
1-(3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl)piperidin-4-yl (S)-(1-(trifluoromethoxy)propan-2-yl)carbamate | [CAS]
2414349-93-0 | [Synonyms]
UJN49930
UGT8-IN-1
1-(3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl)piperidin-4-yl (S)-(1-(trifluoromethoxy)propan-2-yl)carbamate | [Molecular Formula]
C20H22F6N4O4S | [MDL Number]
MFCD34470863 | [MOL File]
2414349-93-0.mol | [Molecular Weight]
528.47 |
| Chemical Properties | Back Directory | [Boiling point ]
642.9±55.0 °C(Predicted) | [density ]
1.47±0.1 g/cm3(Predicted) | [solubility ]
DMF:30.0(Max Conc. mg/mL);56.77(Max Conc. mM)
DMSO:30.0(Max Conc. mg/mL);56.77(Max Conc. mM)
Ethanol:25.0(Max Conc. mg/mL);47.31(Max Conc. mM) | [form ]
A crystalline solid | [pka]
11.36±0.46(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Description]
UJN49930 is an inhibitor of UDP-galactose ceramide galactosyltransferase (UGT8), also known as ceramide galactosyltranferase (CGT; IC50 = 0.2 nM).1 It is selective for UGT8 over UGT1A1, -1A6, -2B7, -2B15, and -2B17 (IC50s = >10 μM for all). In vivo, UJN49930 inhibits the synthesis of galactosylceramide (GalCer) and sulfatide (SFT) in juvenile mouse brain (ED50s = <3 mg/kg for both) and adult mouse kidney when administered at doses of 3, 10, and 30 mg/kg. | [Uses]
UGT8-IN-1 is a brain penetrable and orally active inhibitor of ceramide galactosyltransferase enzyme (UGT8). UGT8-IN-1 can be used in the study for lysosomal storage disorders[1]. | [in vivo]
UGT8-IN-1 (compound 19) exhibits the T1/2 of 4.3 h, 1.13 h and 13.6 h by iv (1 mg/kg) administration in rat, mouse and dog, respectively. UGT8-IN-1 (compound 19) shows F% of 40%, 34% and 52% by oral (3 mg/kg) administration in rat, mouse and dog, respectively[1].
UGT8-IN-1 (compound 19, orally twice a day for three days) shows ≥90% inhibition of incorporation of 13C-Gal into GalCer and SFT, at all three doses tested, with the estimated ED50s of <3 mg/kg for inhibition of both SFT and GalCer. UGT8-IN-1 (compound 19) has very high plasma protein and tissue binding (>99%)[1].
| [References]
[1] Sukanthini Thurairatnam, et al. Brain Penetrable Inhibitors of Ceramide Galactosyltransferase for the Treatment of Lysosomal Storage Disorders. ACS Med Chem Lett. 2020 Jun 16;11(10):2010-2016. DOI:10.1021/acsmedchemlett.0c00120 |
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