Sitagliptin-d4 phosphate | CAS 1432063-88-1 | AnyMole

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HIT220921877

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HIT220921877

HIT ID:HIT220921877
Cas No:1432063-88-1
常用名:Sitagliptin-d4 phosphate
IUPAC:(3R)-3-amino-1-[3-(trifluoromethyl)(5,5,6,6-2H4)-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:(3R)-3-amino-1-[3-(trifluoromethyl)(5,5,6,6-2H4)-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:InChIKey=IQFYVLUXQXSJJN-GKIQQKSJSA-N

分子式:C16H18F6N5O5P
分子量:509.339
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OP(O)(O)=O.[2H]C1([2H])N(Cc2nnc(n2C1([2H])[2H])C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
SMILES:OP(O)(O)=O.[2H]C1([2H])N(Cc2nnc(n2C1([2H])[2H])C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

Sitagliptin-d4(phosphate) 是 Sitagliptin phosphate 的氘代物。Sitagliptin phosphate (MK-0431 phosphate) 是一种有效的DPP4抑制剂，其在 Caco-2 细胞中的IC50为19 nM。

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