CAS 764667-65-4

1-[5,6-Dihidro-3-(trifluorometil)-1,2,4-triazolo[4,3-a]pirazin-7(8H)-il]-4-(2,4,5-trifluorofenil)-1,3-butanodiona

Descripción:

1-[5,6-Dihidro-3-(trifluorometil)-1,2,4-triazolo[4,3-a]pirazin-7(8H)-il]-4-(2,4,5-trifluorofenil)-1,3-butanodiona, con número CAS 764667-65-4, es un compuesto orgánico sintético caracterizado por su estructura compleja, que incluye un moiety de triazol y pirazina. Este compuesto presenta múltiples grupos trifluorometilo, que contribuyen a sus propiedades químicas únicas, como una mayor lipofilia y potencial actividad biológica. La presencia del grupo funcional butanediona sugiere que puede participar en varias reacciones químicas, incluyendo condensación y adición de Michael. Su estructura molecular indica aplicaciones potenciales en química medicinal, particularmente en el desarrollo de fármacos que apunten a vías biológicas específicas. Los grupos trifluorometilo pueden mejorar la estabilidad metabólica e influir en la interacción del compuesto con objetivos biológicos. En general, este compuesto ejemplifica el diseño intrincado que a menudo se emplea en el descubrimiento de fármacos, donde las modificaciones en el marco molecular pueden llevar a una mejor eficacia y selectividad en aplicaciones terapéuticas.

Fórmula: 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

Clave InChI: 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

Sinónimos:

• (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

Pureza: 95%

Forma y color: Liquid, Oil

Peso molecular: 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

Fórmula: C₁₆H₁₂F₆N₄O₂

Forma y color: Beige Solid

Peso molecular: 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

Fórmula: C₁₆H₁₂F₆N₄O₂

Pureza: 95%

Forma y color: Solid

Peso molecular: 406.2825

Ref: IN-DA005LGP

Sitagliptin Impurity 42

CAS: 764667-65-4

Fórmula: C₁₆H₁₂F₆N₄O₂

Forma y color: Pale Yellow Solid

Peso molecular: 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

Pureza: 98%

Peso molecular: 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

Forma y color: 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

Producto controlado

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),

Fórmula: C₁₆H₁₂F₆N₄O₂

Forma y color: Neat

Peso molecular: 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.

Fórmula: C₁₆H₁₂F₆N₄O₂

Pureza: Min. 95%

Forma y color: Slightly Yellow Powder

Peso molecular: 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

Producto controlado

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)

Fórmula: C₁₆H₈D₄F₆N₄O₂

Forma y color: Neat

Peso molecular: 410.31

Ref: TR-O864952

Sitagliptin Ketoamide Impurity

CAS: 764667-65-4

Fórmula: C₁₆H₁₂F₆N₄O₂

Peso molecular: 406.29

Ref: ST-EA-CP-S3029