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Home > Encyclopedia > (2-AMINO-4,5-DIMETHYL-3-THIENYL)-[3-(TRIFLUOROMETHYL)PHENYL]METHANONE

(2-AMINO-4,5-DIMETHYL-3-THIENYL)-[3-(TRIFLUOROMETHYL)PHENYL]METHANONE

(2-AMINO-4,5-DIMETHYL-3-THIENYL)-[3-(TRIFLUOROMETHYL)PHENYL]METHANONE structure

(2-AMINO-4,5-DIMETHYL-3-THIENYL)-[3-(TRIFLUOROMETHYL)PHENYL]METHANONE 

structure
  • CAS No:

    132861-87-1

  • Formula:

    C14H12F3NOS

  • Chemical Name:

    (2-AMINO-4,5-DIMETHYL-3-THIENYL)-[3-(TRIFLUOROMETHYL)PHENYL]METHANONE

  • Synonyms:

    (2-AMINO-4,5-DIMETHYL-3-THIENYL)-[3-(TRIFLUOROMETHYL)PHENYL]METHANONE;PD 81,723;(2-Amino-4,5-dimethylthiophen-3-yl)(3-trifluoromethylphenyl) ketone;(3-Trifluoromethylphenyl)(2-amino-4-methyl-5-methyl-3-thienyl) ketone;4,5-Dimethyl-3-[3-(trifluoromethyl)benzoyl]-2-thiophenamine;Methanone, (2-aMino-4,5-diMethyl-3-thienyl)[3-(trifluoroMethyl)phenyl]-;(2-Amino-4,5-dimethylthiophen-3-yl)-(3-(trifluoromethyl)phenyl)methanone

(2-AMINO-4,5-DIMETHYL-3-THIENYL)-[3-(TRIFLUOROMETHYL)PHENYL]METHANONE Basic Attributes

299.31

299.05900

DTXSID00157821

2934999090

Characteristics

71.3

4.77810

yellow solid

1.328±0.06 g/cm3(Predicted)

100-104 °C(Solv: ligroine (8032-32-4))

411.7±45.0 °C(Predicted)

202.8ºC

1.563

DMSO: ~13 mg/mL

−20°C

Safety Information

NONH for all modes of transport

3

Drug Information

(2-amino-4,5-dimethyl-3-thienyl)-(3-(trifluoromethyl)phenyl)methanone

(2-AMINO-4,5-DIMETHYL-3-THIENYL)-[3-(TRIFLUOROMETHYL)PHENYL]METHANONE Use and Manufacturing

Allosteric potentiator at the adenosine A 1 receptor; acts via agonist-dependent and -independent mechanisms. Enhances agonist affinity for, and increased t 1/2 of dissociation from, the receptor. Also inhibits basal and forskolin-stimulated adenylyl cyclase (AC) activity in A 1 receptors expressed in CHO cells, possibly via direct potentiation of constitutive receptor activity or by direct inhibition of AC. Active in vivo .

Computed Properties

Molecular Weight:299.31
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:299.05916967
Monoisotopic Mass:299.05916967
Topological Polar Surface Area:71.3
Heavy Atom Count:20
Complexity:374
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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