538327-08-1

Basic information

• Product Name: Acetic acid, cyano-, [3-(trifluoromethyl)phenyl]methyl ester
• CAS NO: 538327-08-1
• Molecular Formula: C11H8F3NO2
• Molecular Weight: 243.185
• Mol File: 538327-08-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Acetic acid, cyano-, [3-(trifluoromethyl)phenyl]methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Acetic acid, cyano-, [3-(trifluoromethyl)phenyl]methyl ester(538327-08-1)
• EPA Substance Registry System: Acetic acid, cyano-, [3-(trifluoromethyl)phenyl]methyl ester(538327-08-1)

Safety Data

• Hazardous Substances Data: 538327-08-1(Hazardous Substances Data)

Upstream product

• 349-75-7 3-(trifluoromethyl)benzyl alcohol 
• 372-09-8 cyanoacetic acid 

Relevant articles and documents

2-Amino-3-benzoylthiophene allosteric enhancers of A1, adenosine agonist binding: New 3, 4-, and 5-modifications

2-Amino-3-aroylthiophenes are agonist allosteric enhancers (AE) at the A1, adenosine receptor (A1AR). Here we report the syntheses of three kinds of novel 2-aminothiophenes and assays of their AE activity at the human A1AR (hA1AR), namely, (1) 2-amino-4,5-diphenylthiophene-3-carboxylates, 3a-h, (2) 2-amino-3-benzoyl-4,5-diphenylthiophenes, 7a-p, and (3) 2-amino-5-bromo-3-benzoyl-4-phenylthiophenes, 10a-h. An in vitro assay employing the A1AR agonist [125I]ABA and membranes from CHO-K1 cells stably expressing the hA1AR measured an index of AE activity, the ability of a candidate AE to stabilize the agonist-A1AR-G protein ternary complex, scored as the percentage of ternary complex remaining after 10 min of dissociation initiated by CPX and GTPγS. The AE activity score of 2-amino-4,5-dimethyl-3-(3-trifluoromethylbenzoyl)thiophene (PD 81,723), which was 19%, served as a standard for comparison. Two 3-carboxythiophene 3-trifluoromethylbenzyl esters, 3d (49%) and 3f (63%), had substantial AE activity. The 3-(1-naphthoyl) substituent of 7e (52%) also supported AE activity. Compounds in series 3 tended to be more potent, 10a and 10c having scores of 91 and 80%, respectively. The activity of 2-amino-5-bromo-3-ethoxycarbonyl-4-(3-nitrophenyl)thiophene, 10h (26%), is an exception to the rule that a 3-ethoxycarbonyl substituent cannot support AE activity.