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85872-53-3 | 8-Phenyl-1,3-dipropyl-1H-purine-2,6(3H,7H);-dione
CAS No: 85872-53-3 Catalog No: AG004NI6 MDL No:
Product Description
Catalog Number:
AG004NI6
Chemical Name:
8-Phenyl-1,3-dipropyl-1H-purine-2,6(3H,7H);-dione
CAS Number:
85872-53-3
Molecular Formula:
C17H20N4O2
Molecular Weight:
312.3663
IUPAC Name:
8-phenyl-1,3-dipropyl-7H-purine-2,6-dione
InChI:
InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
InChI Key:
CLIGSMOZKDCDRZ-UHFFFAOYSA-N
SMILES:
CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccccc1
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.373g/mol
Monoisotopic Mass:
312.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Biophysical mapping of the adenosine A2A receptor. | Journal of medicinal chemistry 20110714 |
| A1 receptor mediated adenosinergic regulation of perifornical-lateral hypothalamic area neurons in freely behaving rats. | Neuroscience 20100428 |
| Role of adenosine A(1) receptor in the perifornical-lateral hypothalamic area in sleep-wake regulation in rats. | Brain research 20091222 |
| Adenosine and adenosine receptors: Newer therapeutic perspective. | Indian journal of pharmacology 20090601 |
| DPPX modifies TEA sensitivity of the Kv4 channels in rabbit carotid body chemoreceptor cells. | Advances in experimental medicine and biology 20090101 |
| Adenosine and the homeostatic control of sleep: effects of A1 receptor blockade in the perifornical lateral hypothalamus on sleep-wakefulness. | Neuroscience 20080602 |
| Altered intravenous pharmacokinetics of topotecan in rats with acute renal failure (ARF) induced by uranyl nitrate: do adenosine A1 antagonists (selective/non-selective) normalize the altered topotecan kinetics in ARF? | Xenobiotica; the fate of foreign compounds in biological systems 20061201 |
| Preparation, properties, reactions, and adenosine receptor affinities of sulfophenylxanthine nitrophenyl esters: toward the development of sulfonic acid prodrugs with peroral bioavailability. | Journal of medicinal chemistry 20040212 |
| Structure-activity relationships at human and rat A2B adenosine receptors of xanthine derivatives substituted at the 1-, 3-, 7-, and 8-positions. | Journal of medicinal chemistry 20020523 |
| Synthesis and structure-activity relationships of deazaxanthines: analogs of potent A1- and A2-adenosine receptor antagonists. | Journal of medicinal chemistry 19940513 |
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