ChemSpider 2D Image | Sitagliptin Phosphate | C16H18F6N5O5P

Sitagliptin Phosphate

  • Molecular FormulaC16H18F6N5O5P
  • Average mass505.309 Da
  • Monoisotopic mass505.094971 Da
  • ChemSpider ID4953630
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Sitagliptin Phosphate [USAN]
(2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine phosphate
(3R)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1-butanone phosphate (1:1) [ACD/IUPAC Name]
(3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one phosphate (1:1)
1,2,4-triazolo[4,3-a]pyrazine-7(8H)-propanamine, 5,6-dihydro-γ-oxo-3-(trifluoromethyl)-α-[(2,4,5-trifluorophenyl)methyl]-, (αR)-, phosphate (1:1)
1-Butanone, 3-amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-, (3R)-, phosphate (1:1) [ACD/Index Name]
654671-78-0 [RN]
acide phosphorique - (2R)-4-oxo-4-[3-(trifluorométhyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophényl)butan-2-amine (1:1) [French]
Acide phosphorique - (3R)-3-amino-1-[3-(trifluorométhyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophényl)-1-butanone (1:1) [French] [ACD/IUPAC Name]
Januvia [Trade name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

494P4635I6 [DBID]
MK 0431 [DBID]
MK-0431 [DBID]
MK-431 [DBID]
ONO-5435 [DBID]
UNII:494P4635I6 [DBID]
UNII-494P4635I6 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      DPP4 MedChem Express HY-13749A
      Metabolism/Protease MedChem Express HY-13749A
      Metabolism/Protease; MedChem Express HY-13749A
      Sitagliptin phosphate(MK 0431 phosphate) is a potent inhibitor of DPP4 with IC50 of 19 nM in Caco-2 cell extracts. MedChem Express
      Sitagliptin phosphate(MK 0431 phosphate) is a potent inhibitor of DPP4 with IC50 of 19 nM in Caco-2 cell extracts.; Target: DPP4; Sitagliptin exhibits a potent inhibitory effect on DPP-4 with IC50 of 19 nM from Caco-2 cell extracts [1]. MedChem Express HY-13749A
      Sitagliptin phosphate(MK 0431 phosphate) is a potent inhibitor of DPP4 with IC50 of 19 nM in Caco-2 cell extracts.;Target: DPP4Sitagliptin exhibits a potent inhibitory effect on DPP-4 with IC50 of 19 nM from Caco-2 cell extracts [1]. MK0431 reduces in vitro migration of isolated splenic CD4 T-cells through a pathway involving cAMP/PKA/Rac1 activation [2]. A recent study demonstrates that sitagliptin exerts a novel, direct action in order to stimulate GLP-1 secretion by the intestinal L cell through a DPP-4-independent, protein kinase A- and MEK-ERK1/2-dependent pathway. It therefore reduces the effect of autoimmunity on graft survival [3].;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 [1]. The streptozotocin-induced type 1 diabetes mouse model exhibits elevated DPP-4 levels in the plasma that can be substantially inhibited in mice on MedChem Express HY-13749A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

No predicted properties have been calculated for this compound.

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