1005407-76-0
Chemical Structure
GSK 1842799 TFA
- CAS No.: 1005407-76-0
- Formula:C24H30F9N3O6S
- Molecular Weight:659.56
IUPAC Name: (S)-2-amino-2-(5-(4-(octyloxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propan-1-ol bis(2,2,2-trifluoroacetate)
InChIKey: JMAYDELAQRHSLR-TXEPZDRESA-N
SMILES: C[C@](C1=NN=C(C2=CC=C(OCCCCCCCC)C(C(F)(F)F)=C2)S1)(N)CO.O=C(O)C(F)(F)F.FC(F)(F)C(O)=O
Biological Activity: GSK1842799, an alkyl-substituted biaryl amino alcohol, is a selective S1P1 modulator developed for multiple sclerosis (MS). Upon phosphorylation, GSK1842799-P exhibited subnanomolar S1P1 agonist activity with over 1000-fold selectivity over S1P3. The compound showed good oral bioavailability, rapid in vivo conversion to GSK1842799-P, and significant lymphocyte count reduction at 0.1 mg/kg. It matched FTY720 efficacy at 3 mg/kg in the mouse EAE model and achieved comparable plasma levels to FTY-720 phosphate in cynomolgus monkeys. With favorable ADME, PK/PD properties, and toxicology, GSK1842799 advanced to further clinical development[1].
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GSK 1842799 TFA | GSK1842799, an alkyl-substituted biaryl amino alcohol, is a selective S1P1 modulator developed for multiple sclerosis (MS). Upon phosphorylation, GSK1842799-P exhibited subnanomolar S1P1 agonist activity with over 1000-fold selectivity over S1P3. The compound showed good oral bioavailability, rapid in vivo conversion to GSK1842799-P, and significant lymphocyte count reduction at 0.1 mg/kg. It matched FTY720 efficacy at 3 mg/kg in the mouse EAE model and achieved comparable plasma levels to FTY-720 phosphate in cynomolgus monkeys. With favorable ADME, PK/PD properties, and toxicology, GSK1842799 advanced to further clinical development. | |||||||||||||||||||||
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Keywords
