(S)-Sitagliptin phosphate | (S)-Sitagliptin phosphate | (S)-MK-0431 phosphate | CAS 823817-58-9 | AnyMole

有库存

HIT214324091

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类似物检索

HIT214324091

HIT ID:HIT214324091
Cas No:823817-58-9
常用名:(S)-Sitagliptin phosphate
别名:(S)-Sitagliptin phosphate, (S)-MK-0431 phosphate
别名:(S)-Sitagliptin phosphate, (S)-MK-0431 phosphate
IUPAC:(3S)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; phosphoric acid
IUPAC:(3S)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; phosphoric acid
InChI key:IQFYVLUXQXSJJN-FVGYRXGTSA-N

分子式:C16H18F6N5O5P
分子量:505.314
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OP(O)(O)=O.N[C@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
SMILES:OP(O)(O)=O.N[C@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F

(S)-Sitagliptin phosphate, the less active S-enantiomer of Sitagliptin phosphate, is a high-potency inhibitor of DPP4. It exhibits an IC50 of 19 nM in Caco-2 cell extracts.

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¥ 10,600.00
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