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AB142101

Sitagliptin Phosphate Monohydrate

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MW 523.32 Da, Purity >98%. Anti-diabetic (antihyperglycemic) drug of the dipeptidyl peptidase-4 (DPP-4) class. Inhibition of the enzyme DPP-4 is thought to increase Glucagon-like peptide-1 (GLP-1) which inhibits glucagon release , stimulates the insulin release and lowers blood glucose.

Key facts

CAS number

654671-77-9

Purity

>98%

Form

Solid

form

Molecular weight

523.32 Da

Molecular formula

C<sub>1</sub><sub>6</sub>H<sub>2</sub><sub>0</sub>F<sub>6</sub>N<sub>5</sub>O<sub>6</sub>P

PubChem

11591741

Nature

Synthetic

Solubility

DMSO (>100 mg/ml)

Water (>50 mg/ml)

Biochemical name

Sitagliptin phosphate monohydrate

Biological description

Anti-diabetic (antihyperglycemic) drug of the dipeptidyl peptidase-4 (DPP-4) class. Inhibition of the enzyme DPP-4 is thought to increase Glucagon-like peptide-1 (GLP-1) which inhibits glucagon release , stimulates the insulin release and lowers blood glucose.

Canonical smiles

C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.O.OP(=O)(O)O

Isomeric smiles

C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N.O.OP(=O)(O)O

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

IUPAC Name

(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;phosphoric acid;hydrate

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Properties and storage information

Shipped at conditions
Blue Ice
Appropriate short-term storage conditions
-20°C
Appropriate long-term storage conditions
-20°C
Storage information
It is important to note that this is air sensitive and impurities can occur as a result of air oxidation|Store under desiccating conditions
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Product protocols

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