CAS 823817-57-8

1,2,4-Triazolo[4,3-a]pyrazine, 7-[3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-, phosphate (1:1)

Description:

1,2,4-Triazolo[4,3-a]pyrazine, 7-[3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-, phosphate (1:1), with CAS number 823817-57-8, is a complex organic compound characterized by its unique triazole and pyrazine ring structures. This substance features a phosphate group, which contributes to its potential biological activity and solubility in aqueous environments. The presence of trifluoromethyl and trifluorophenyl groups indicates strong electron-withdrawing properties, which can enhance the compound's reactivity and influence its pharmacological profile. The amino and carbonyl functionalities suggest potential interactions with biological targets, making it of interest in medicinal chemistry. Its tetrahydro structure implies a saturated cyclic component, which may affect its conformational flexibility and binding interactions. Overall, this compound's intricate structure and functional groups position it as a candidate for further investigation in drug development and other applications in the pharmaceutical industry.

Formula: C₁₆H₁₅F₆N₅O·H₃O₄P

InChI: InChI=1S/C16H15F6N5O.H3O4P/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)

InChI key: InChIKey=IQFYVLUXQXSJJN-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1N2C(CN(C(CC(CC3=C(F)C=C(F)C(F)=C3)N)=O)CC2)=NN1.P(=O)(O)(O)O

Synonyms:

• 1,2,4-Triazolo[4,3-a]pyrazine, 7-[3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-, phosphate (1:1)

rac-Sitagliptin Phosphate

Controlled Product

CAS: 823817-57-8

Applications rac-Sitagliptin Phosphate is a trizolopyrazine dipeptidyl peptidase IV inhibitor. Sitagliptin has recently been approved for the therapy of type II diabetes.
References Kim, D., et al.: J. Med. Chem. 48, 141 (2005), Ahren, B., et al.: Eur. J. Pharmacol. 521 164 (2005), Bergman, A., et al: Clin. Ther. 28, 55 (2006)

Formula: C₁₆H₁₈F₆N₅O₅P

Color and Shape: Neat

Molecular weight: 505.31

Ref: TR-S491045

Rac-Sitagliptin Phosphate

CAS: 823817-57-8

Formula: C₁₆H₁₅F₆N₅OH₃O₄P

Molecular weight: 407.3 : 98.0

Ref: ST-EA-CP-S3104