159979-81-4

Basic information

• Product Name: Methanimidic acid, N-[4-cyano-1-(2-phenylethyl)-1H-pyrazol-5-yl]-, ethyl ester
• CAS NO: 159979-81-4
• Molecular Formula: C15H16N4O
• Molecular Weight: 268.318
• Mol File: 159979-81-4.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Methanimidic acid, N-[4-cyano-1-(2-phenylethyl)-1H-pyrazol-5-yl]-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Methanimidic acid, N-[4-cyano-1-(2-phenylethyl)-1H-pyrazol-5-yl]-, ethyl ester(159979-81-4)
• EPA Substance Registry System: Methanimidic acid, N-[4-cyano-1-(2-phenylethyl)-1H-pyrazol-5-yl]-, ethyl ester(159979-81-4)

Safety Data

• Hazardous Substances Data: 159979-81-4(Hazardous Substances Data)

Upstream product

• 122-51-0 orthoformic acid triethyl ester 
• 159979-74-5 5-amino-4-cyano-1-(β-phenylethyl)pyrazole 
• 17376-04-4 2-phenethyl iodide 
• 16617-46-2 3-amino-4-cyano-2H-pyrazole 

Downstream Products

• 512845-28-2 [4-(5-amino-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-phenoxy]-acetic acid ethyl ester 
• 512845-14-6 4-(5-amino-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-phenol 
• 512844-88-1 7-(2-phenylethyl)-2-(2-ethoxyphenyl)pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine 
• 512845-06-6 5-amino-1-(2-phenylethyl)-4-[3-(2-ethoxyphenyl)-1,2,4-triazolo-5-yl]pyrazole 
• 512845-02-2 5-amino-1-(2-phenylethyl)-4-[3-(4-chlorophenyl)-1,2,4-triazolo-5-yl]pyrazole 
• 512844-84-7 7-(2-phenylethyl)-2-(4-chlorophenyl)pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine 
• 512844-78-9 7-(2-phenylethyl)-2-(4-hydroxyphenyl)pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine 
• 512844-93-8 7-(2-phenylethyl)-2-phenylpyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine 
• 512845-10-2 5-amino-1-(2-phenylethyl)-4-[3-phenyl-1,2,4-triazolo-5-yl]pyrazole 

Relevant articles and documents

Does the combination of optimal substitutions at the C2-, N 5- and N8-positions of the pyrazolo-triazolo-pyrimidine scaffold guarantee selective modulation of the human A3 adenosine receptors?

In an attempt to study the optimal combination of a phenyl ring at the C2-position and different substituents at the N5- and N8-positions towards the selective modulation of human A3 adenosine receptors (hA3AR), we synthesized a new series of 2-para-(un)substituted-phenyl-pyrazolo-triazolo-pyrimidines bearing either a methyl or phenylethyl at N8 and chains of variable length at N 5. Through biological evaluation, it was found that the majority of the compounds had good affinities towards the hA3AR in the low nanomolar range. Compound 16 possessed the best hA3AR affinity and selectivity profile (KihA3 = 1.33 nM; hA 1/hA3 = 4880; hA2A/hA3 = 1100) in the present series of 2-(substituted)phenyl-pyrazolo-triazolo-pyrimidine derivatives. In addition to pharmacological characterization, a molecular modeling investigation on these compounds further elucidated the effect of different substituents at the pyrazolo-triazolo-pyrimidine scaffold on affinity and selectivity to hA3AR.

PHARMACEUTICALLY ACTIVE COMPOUNDS HAVING A TRICYCLIC PYRAZOLOTRIAZOLOPYRIMIDINE RING STRUCTURE AND METHODS OF USE

New compounds having a tricyclic pyrazolotriazolopyrimidine ring structure are provided and methods of using those compounds for a variety of therapeutic indications.