(2-AMINO-4,5-DIMETHYL-3-THIENYL)-[3-(TRIFLUOROMETHYL)PHENYL]METHANONE
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(2-AMINO-4,5-DIMETHYL-3-THIENYL)-[3-(TRIFLUOROMETHYL)PHENYL]METHANONE
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CAS No:
132861-87-1
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Formula:
C14H12F3NOS
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Chemical Name:
(2-AMINO-4,5-DIMETHYL-3-THIENYL)-[3-(TRIFLUOROMETHYL)PHENYL]METHANONE
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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
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CAS No:
(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
(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
(2-AMINO-4,5-DIMETHYL-3-THIENYL)-[3-(TRIFLUOROMETHYL)PHENYL]METHANONE
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