Sitagliptin Phosphate Monohydrate

  • CAT Number: A000525
  • CAS Number: 654671-77-9
  • Molecular Formula: C₁₆H₁₅F₆N₅O•H₃PO₄•H₂O
  • Molecular Weight: 523.32
  • Purity: ≥95%
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Sitagliptin phosphate monohydrate is a potent inhibitor of DPP-IV with IC50 of 19 nM in Caco-2 cell extracts.<br>As an orally active agent, Sitagliptin phosphate exhibits a potent inhibitory effect on DPP-4 with IC50 of 19 nM from Caco-2 cell extracts.<br>In vivo, the ED50 value of Sitagliptin phosphate for inhibition of plasma DPP-4 activity is calculated to be 2.3 mg/kg 7 hour postdose and 30 mg/kg 24 hour postdose in freely fed Han-Wistar rats.

Catalog Number A000525
CAS Number 654671-77-9
Molecular Formula

C₁₆H₁₅F₆N₅O•H₃PO₄•H₂O

Purity 95%
Target DPP-4
Solubility >23.8mg/mL in DMSO
Storage 3 years -20C powder
InChI InChI=1S/C16H15F6N5O.H3O4P.H2O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;1-5(2,3)4;/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4);1H2/t9-;;/m1../s1
InChIKey GQPYTJVDPQTBQC-KLQYNRQASA-N
SMILES C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.O.OP(=O)(O)O

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