CAS 764667-65-4

1-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione

Description:

1-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione, with CAS number 764667-65-4, is a synthetic organic compound characterized by its complex structure, which includes a triazole and pyrazine moiety. This compound features multiple trifluoromethyl groups, contributing to its unique chemical properties, such as increased lipophilicity and potential biological activity. The presence of the butanedione functional group suggests it may participate in various chemical reactions, including condensation and Michael addition. Its molecular structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. The trifluoromethyl groups can enhance metabolic stability and influence the compound's interaction with biological targets. Overall, this compound exemplifies the intricate design often employed in drug discovery, where modifications to the molecular framework can lead to improved efficacy and selectivity in therapeutic applications.

Formula: C₁₆H₁₂F₆N₄O₂

InChI: InChI=1S/C16H12F6N4O2/c17-10-6-12(19)11(18)4-8(10)3-9(27)5-14(28)25-1-2-26-13(7-25)23-24-15(26)16(20,21)22/h4,6H,1-3,5,7H2

InChI key: InChIKey=QAEDTLFWHIEVPK-UHFFFAOYSA-N

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

Synonyms:

• (2Z)-1-[3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butane-1,3-dione
• 1,2,4-Triazolo[4,3-a]pyrazine, 7-[1,3-dioxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-
• 1,3-Butanedione, 1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-
• 1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione
• 1-(3-Trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(2,4,5-trifluoro-phenyl)-butan-1,3-dione
• 1-[3-(Trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butane-1,3-dione
• 1-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione
• 4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butane-2-one
• 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-one
• 7-[1,3-Dioxo-4-(2,4,5-trifluorophenyl)butyl]-3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine
• Prositagliptin ketone

1-[5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-4-(2,4,5-TRIFLUOROPHENYL)-1,3-BUTANEDIONE

CAS: 764667-65-4

Purity: 95%

Color and Shape: Liquid, Oil

Molecular weight: 406.287994384766

Ref: 10-F817914

Sitagliptin Ketone (1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione)

CAS: 764667-65-4

Compounds containing a pyrimidine ring, whether or not hydrogenated, or piperazine ring in the structure, nesoi

Formula: C₁₆H₁₂F₆N₄O₂

Color and Shape: Beige Solid

Molecular weight: 406.08644

Ref: 45-1A02670

(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one

CAS: 764667-65-4

Formula: C₁₆H₁₂F₆N₄O₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 406.2825

Ref: IN-DA005LGP

Sitagliptin Impurity 42

CAS: 764667-65-4

Formula: C₁₆H₁₂F₆N₄O₂

Color and Shape: Pale Yellow Solid

Molecular weight: 406.29

Ref: 4Z-S-209

1-(3-(Trifluoromethyl)-5,6-Dihydro-[1,2,4]Triazolo[4,3-A]Pyrazin-7(8H)-Yl)-4-(2,4,5-Trifluorophenyl)Butane-1,3-Dione

CAS: 764667-65-4

1-(3-(Trifluoromethyl)-5,6-Dihydro-[1,2,4]Triazolo[4,3-A]Pyrazin-7(8H)-Yl)-4-(2,4,5-Trifluorophenyl)Butane-1,3-Dione

Purity: 98%

Molecular weight: 406.28g/mol

Ref: 54-PC109261

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-one

CAS: 764667-65-4

Color and Shape: Neat

Ref: 86-MM3378.06

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-one

Controlled Product

CAS: 764667-65-4

Applications Sitagliptin intermediate.
References Mohri, K., et al.: Chem. Pharm. Bull., 30, 3097 (1982), Cameron, M., et al.: J. Pharm. Biomed. Anal., 28, 137 (2002),

Formula: C₁₆H₁₂F₆N₄O₂

Color and Shape: Neat

Molecular weight: 406.28

Ref: TR-O864950

Sitagliptin keto amide impurity

CAS: 764667-65-4

Sitagliptin Keto Amide Impurity is a research and development impurity standard that has been shown to be an impurity in the drug product Sitagliptin. It is a synthetic, analytical impurity that has been shown to be present in the drug product at 0.1% of the total weight. This impurity is soluble in water and ethanol, but insoluble in ether, chloroform, benzene, and dichloromethane. The CAS number for this compound is 764667-65-4. Sitagliptin Keto Amide Impurity can be used as an analytical reference material or as a pharmacopoeia reference standard for HPLC analysis of sitagliptin keto amide and its metabolites.

Formula: C₁₆H₁₂F₆N₄O₂

Purity: Min. 95%

Color and Shape: Slightly Yellow Powder

Molecular weight: 406.28 g/mol

Ref: 3D-IS106471

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-one-d4

Controlled Product

CAS: 764667-65-4

Applications Isotope labelled Sitagliptin (S491000) intermediate. A dipeptidyl peptidase-4 inhibitor and an anti-hypertensive agent for the treatment of diabetes and hypertension.
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: C₁₆H₈D₄F₆N₄O₂

Color and Shape: Neat

Molecular weight: 410.31

Ref: TR-O864952

Sitagliptin Ketoamide Impurity

CAS: 764667-65-4

Formula: C₁₆H₁₂F₆N₄O₂

Molecular weight: 406.29

Ref: ST-EA-CP-S3029