Name: Gln-AMS TFA (209543-57-7 free base)
Rating: 5 (10 reviews)

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HIT ID:HIT212670952
Cas No:
常用名:Gln-AMS TFA (209543-57-7 free base)
常用名:Gln-AMS TFA (209543-57-7 free base)
别名:Gln-AMS TFA
IUPAC:(4S)-4-amino-5-[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}sulfonyl)amino]-5-oxopentanamide; trifluoroacetic acid
IUPAC:(4S)-4-amino-5-[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}sulfonyl)amino]-5-oxopentanamide; trifluoroacetic acid
InChI key:PSKPSIJRHFDWMM-RVUKTNCFSA-N

分子式:C17H23F3N8O10S
分子量:588.47
氢键供体数 (HBD):6
氢键受体数 (HBA):13
LogP:-5.066192
SMILES:OC(=O)C(F)(F)F.N[C@@H](CCC(N)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
SMILES:OC(=O)C(F)(F)F.N[C@@H](CCC(N)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

Gln-AMS(TFA) inhibits glutaminyl-tRNA synthetase (GlnRS) with a Ki of 1.32 μM. Gln-AMS (TFA) is a type Ia aminoacyl-tRNA synthetase (AARS) inhibitor.

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