CAS No. 486460-32-6

Molecular Formula: C16H15F6N5O
Molecular Weight: 407.32

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Description:
Sitagliptin (MK 0431) is a potent inhibitor of DPP4 with IC50 of 19 nM in Caco-2 cell extracts. Sitagliptin is used as a hypoglycemic agent to treat type 2 diabetes.

• Molecular Weight: 407.31
• Molecular Formula: C16H15N5OF6

Purity: >98%

Canonical SMILES:
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N

InChI:
InChI=1S/C16H15F6N5O/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/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1

InChIKey: MFFMDFFZMYYVKS-SECBINFHSA-N

• Boiling Point: 529.9±60.0°C (Predicted)
• Melting Point: 14.1-115.7°C
• Solubility: Soluble in DMSO
• Appearance: White to Off-white Solid
• Application: the treatment of type 2 diabetes
• Storage: Store at -20°C

Synonyms:
7-[(3R)-3-Amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine; MK0431; Xelevia; Januvia; Tesavel; NSC813215; (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; 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)-

More details are to be found on supplier website