ChemicalBook--->CAS DataBase List--->654671-77-9

654671-77-9

654671-77-9 Structure

654671-77-9 Structure
IdentificationMore
[Name]

Sitagliptin phosphate monohydrate
[CAS]

654671-77-9
[Synonyms]

SITAGLIPTIN PHOSPHATE
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]pyrazinephosphatemonohydrate
Sitagliptin phosphate monohydrate
Sitagliptin phosphate for research
[EINECS(EC#)]

682-492-2
[Molecular Formula]

C16H20F6N5O6P
[MDL Number]

MFCD10001393
[Molecular Weight]

523.324
[MOL File]

654671-77-9.mol
Chemical PropertiesBack Directory
[Fp ]

274.3℃
[storage temp. ]

2-8°C
[solubility ]

≥23.8 mg/mL in DMSO; insoluble in EtOH; ≥30.6 mg/mL in H2O with ultrasonic
[form ]

solid
[color ]

White to off-white
[InChIKey]

IQFYVLUXQXSJJN-OVMXBOEKNA-N
[SMILES]

P(O)(O)(O)=O.C(C1=NN=C2CN(C(=O)C[C@H](N)CC3C=C(F)C(F)=CC=3F)CCN12)(F)(F)F |&1:15,r|
[CAS DataBase Reference]

654671-77-9(CAS DataBase Reference)
Safety DataBack Directory
[Risk Statements ]

28-38-41-48-62-63
[Safety Statements ]

24/25-26-28-36/37/39
[HS Code ]

29335990
Hazard InformationBack Directory
[Chemical Properties]

white crystalline
[Uses]

antimuscarinic
[Biological Activity]

sitagliptin phosphate monohydrate is the phosphate salt of its active component, sitagliptin, with one molecule of water. sitagliptin is a potent inhibitor of dipeptidyl peptidase 4 (dpp-4), an enzyme catalyzing the cleavage of peptides with an n-terminal alanine or proline amino acid residue, that selectively inhibits dpp-4 with 50% inhibition concentration ic50 value of 18 nm and shows no affinity towards other ddp enzymes (such as ddp-8 and ddp-9). the inhibition of dpp4 by sitagliptin has been found to be mediated by increasing levels of two dpp-4 substrates, including glucagon-like peptide-1 (glp-1) and gastric inhibitory polypeptide (gip). sitagliptin is currently being investigated in the treatment of type ii diabetes.gallwitz b. review of sitagliptin phosphate: a novel treatment for type 2 diabetes. vasc health risk manag. 2007;3(2):203-10.
[target]

DPP-4
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Sitagliptin phosphate monohydrate(654671-77-9)1HNMR
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