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Home Halogens Adenosine, 2-[2-(4-chlorophenyl)ethoxy]-

Adenosine, 2-[2-(4-chlorophenyl)ethoxy]-

CAS No.:
131865-88-8
Catalog Number:
AG000ZUR
Molecular Formula:
C18H20ClN5O5
Molecular Weight:
421.8349
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
95%
In Stock USA
United States
$74
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Product Description
Catalog Number:
AG000ZUR
Chemical Name:
Adenosine, 2-[2-(4-chlorophenyl)ethoxy]-
CAS Number:
131865-88-8
Molecular Formula:
C18H20ClN5O5
Molecular Weight:
421.8349
MDL Number:
MFCD16621070
IUPAC Name:
(2R,3R,4S,5R)-2-[6-amino-2-[2-(4-chlorophenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
InChI Key:
WUCQGGOGHZRELS-LSCFUAHRSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(OCCc1ccc(cc1)Cl)nc2N
UNII:
2OT4KAG5JL
Properties
Complexity:
543  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
421.115g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
421.838g/mol
Monoisotopic Mass:
421.115g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
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
Adenosine A(2A) receptors play a role in the pathogenesis of hepatic cirrhosis. British journal of pharmacology 20060801
Adenosine A2A receptor occupancy stimulates expression of proteins involved in reverse cholesterol transport and inhibits foam cell formation in macrophages. Journal of leukocyte biology 20040901
Adenosine A2A receptor agonists promote more rapid wound healing than recombinant human platelet-derived growth factor (Becaplermin gel). Inflammation 20020201
Design, synthesis, and evaluation of novel A2A adenosine receptor agonists. Journal of medicinal chemistry 20010215
Properties