CAS 767340-03-4

(2Z)-3-Amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one

Description:

(2Z)-3-Amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one is a complex organic compound characterized by its unique structural features, including a triazolo-pyrazine core and multiple trifluoromethyl and trifluorophenyl substituents. This compound exhibits significant biological activity, often investigated for its potential as a pharmaceutical agent. The presence of the amino group suggests it may participate in hydrogen bonding, influencing its solubility and reactivity. The trifluoromethyl groups enhance lipophilicity and may contribute to the compound's pharmacokinetic properties. Additionally, the conjugated system formed by the butenone moiety can provide reactivity in various chemical transformations. Its molecular structure indicates potential interactions with biological targets, making it a subject of interest in medicinal chemistry. Overall, this compound exemplifies the intricate relationship between molecular structure and biological activity, highlighting the importance of fluorinated compounds in drug design.

Formula: C₁₆H₁₃F₆N₅O

InChI: InChI=1/C16H13F6N5O/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/h4-6H,1-3,7,23H2/b9-5-

InChI key: InChIKey=RLSFDUAUKXKPCZ-UITAMQMPSA-N

SMILES: C(F)(F)(F)C=1N2C(CN(C(/C=C(/CC3=C(F)C=C(F)C(F)=C3)\N)=O)CC2)=NN1

Synonyms:

• (2Z)-3-Amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one
• (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-amine
• (Z)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one
• 1,2,4-Triazolo[4,3-a]pyrazine, 7-[(2Z)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)-2-butenyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-
• 2-Buten-1-one, 3-amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-, (2Z)-
• (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)but-2-en-2-amine
• （2Z）-2-amine-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro][1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en (2-4)
• (2Z)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]

Sitagliptin Enamine ((Z)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one)

CAS: 767340-03-4

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

Formula: C₁₆H₁₃F₆N₅O

Color and Shape: Off-White Solid

Molecular weight: 405.10243

Ref: 45-1A02650

(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)but-2-en-2-amine

CAS: 767340-03-4

Formula: C₁₆H₁₃F₆N₅O

Purity: 98%

Color and Shape: Solid

Molecular weight: 405.2977

Ref: IN-DA0036IO

(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)but-2-en-2-amine

CAS: 767340-03-4

(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)but-2-en-2-amine

Purity: 95%

Molecular weight: 405.3g/mol

Ref: 54-PC1004071

Sitagliptin Impurity 34

CAS: 767340-03-4

Formula: C₁₆H₁₃F₆N₅O

Color and Shape: White To Off-White Solid

Molecular weight: 405.30

Ref: 4Z-S-2011

(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-amine

CAS: 767340-03-4

Color and Shape: White

Ref: 86-MM3378.20

(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifl

Controlled Product

CAS: 767340-03-4

Applications Sitagliptin 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: C₁₆H₁₃F₆N₅O

Color and Shape: White

Molecular weight: 405.30

Ref: TR-O865000

(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)but-2-en-2-amine

CAS: 767340-03-4

(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)but-2-en-2-amine is a drug that has been studied in hemodialysis patients and found to reduce the mutation rate. It is also thought to be beneficial for hematocrit levels and x-ray parameters. The mechanism of action of this drug is not yet fully understood. Low doses are thought to have a protective effect on germ cells, whereas high doses are thought to have an adverse effect on them. Iron supplementation may help with the adverse effects of high doses.

Formula: C₁₆H₁₃F₆N₅O

Purity: Min. 95%

Color and Shape: White Off-White Powder

Molecular weight: 405.3 g/mol

Ref: 3D-FO155533

Sitagliptin Enamine Impurity

CAS: 767340-03-4

Formula: C₁₆H₁₃F₆N₅O

Molecular weight: 405.30

Ref: ST-EA-CP-S3016

(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)but-2-en-2-amine

CAS: 767340-03-4

(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)but-2-en-2-amine is a useful organic compound for research related to life sciences. The catalog number is T66986 and the CAS number is 767340-03-4.

Formula: C₁₆H₁₃F₆N₅O

Color and Shape: Solid

Molecular weight: 405.304

Ref: TM-T66986