CAS 163152-30-5 | Adenosine, N-[(3-iodophenyl)methyl]- | CAS Number 163152-30-5

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Iodo > 163152-30-5

163152-30-5 | Adenosine, N-[(3-iodophenyl)methyl]-

CAS No: 163152-30-5 Catalog No: AG001TTI MDL No:

Product Description

Catalog Number:

AG001TTI

Chemical Name:

Adenosine, N-[(3-iodophenyl)methyl]-

CAS Number:

163152-30-5

Molecular Formula:

C17H18IN5O4

Molecular Weight:

483.2604

IUPAC Name:

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolane-3,4-diol

InChI:

InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1

InChI Key:

TWLWIJNPUVZDOB-LSCFUAHRSA-N

SMILES:

OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I

Properties

Complexity:

506

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

483.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

483.266g/mol

Monoisotopic Mass:

483.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

126A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Preparation, biological activity and endogenous occurrence of N6-benzyladenosines.	Bioorganic & medicinal chemistry 20070601
(N)-methanocarba 2,N6-disubstituted adenine nucleosides as highly potent and selective A3 adenosine receptor agonists.	Journal of medicinal chemistry 20050324
Synthesis, biological evaluation, and molecular modeling of ribose-modified adenosine analogues as adenosine receptor agonists.	Journal of medicinal chemistry 20050310
Structural determinants of A(3) adenosine receptor activation: nucleoside ligands at the agonist/antagonist boundary.	Journal of medicinal chemistry 20020926
5'-O-alkyl ethers of N,2-substituted adenosine derivatives: partial agonists for the adenosine A1 and A3 receptors.	Journal of medicinal chemistry 20010830
2'-C-Methyl analogues of selective adenosine receptor agonists: synthesis and binding studies.	Journal of medicinal chemistry 19980507
2-Substitution of N6-benzyladenosine-5'-uronamides enhances selectivity for A3 adenosine receptors.	Journal of medicinal chemistry 19941014