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144348-08-3 | Adenosine, 2-[2-(cyclohexylmethylene)hydrazinyl]-
CAS No: 144348-08-3 Catalog No: AG001JDE MDL No:
Product Description
Catalog Number:
AG001JDE
Chemical Name:
Adenosine, 2-[2-(cyclohexylmethylene)hydrazinyl]-
CAS Number:
144348-08-3
Molecular Formula:
C17H25N7O4
Molecular Weight:
391.4249
IUPAC Name:
(2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-(cyclohexylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h6,8-10,12-13,16,25-27H,1-5,7H2,(H3,18,21,22,23)/b20-6+/t10-,12-,13-,16-/m1/s1
InChI Key:
XJFMHMFFBSOEPR-DNZQAUTHSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NN=CC1CCCCC1)nc2N
UNII:
LJA4M1L5LG
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
391.197g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
391.432g/mol
Monoisotopic Mass:
391.197g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Adenosine A2A receptor as a drug discovery target. | Journal of medicinal chemistry 20140508 |
| Evaluation of molecular modeling of agonist binding in light of the crystallographic structure of an agonist-bound A₂A adenosine receptor. | Journal of medicinal chemistry 20120112 |
| Safety of binodenoson, a selective adenosine A2A receptor agonist vasodilator pharmacological stress agent, in healthy subjects with mild intermittent asthma. | Circulation. Cardiovascular imaging 20091101 |
| New stress test agents reduce adverse effects. | JAMA 20080514 |
| Coronary circulation responses to binodenoson, a selective adenosine A2A receptor agonist. | The American journal of cardiology 20070601 |
| A new generation of coronary vasodilators in stress perfusion imaging. | The American journal of cardiology 20070601 |
| Advances in pharmacologic agents in imaging: new A2A receptor agonists. | Current cardiology reports 20060301 |
| Pharmacokinetics and safety of binodenoson after intravenous dose escalation in healthy volunteers. | Journal of nuclear cardiology : official publication of the American Society of Nuclear Cardiology 20050101 |
| Randomized, controlled dose-ranging study of the selective adenosine A2A receptor agonist binodenoson for pharmacological stress as an adjunct to myocardial perfusion imaging. | Circulation 20040203 |
| Novel short-acting A2A adenosine receptor agonists for coronary vasodilation: inverse relationship between affinity and duration of action of A2A agonists. | The Journal of pharmacology and experimental therapeutics 20010701 |
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