CAS 23583-49-5 | 2'-Adenylic acid, 8-bromo- (9CI) | CAS Number 23583-49-5

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23583-49-5 | 2'-Adenylic acid, 8-bromo- (9CI)

CAS No: 23583-49-5 Catalog No: AG002NRR MDL No:

Product Description

Catalog Number:

AG002NRR

Chemical Name:

2'-Adenylic acid, 8-bromo- (9CI)

CAS Number:

23583-49-5

Molecular Formula:

C10H13BrN5O7P

Molecular Weight:

426.1173

IUPAC Name:

[(2R,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate

InChI:

InChI=1S/C10H13BrN5O7P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(23-24(19,20)21)5(18)3(1-17)22-9/h2-3,5-6,9,17-18H,1H2,(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1

InChI Key:

XGLRXXJRGLGBEM-UUOKFMHZSA-N

SMILES:

OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)n1c(Br)nc2c1ncnc2N

Properties

Complexity:

514

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

424.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

426.12g/mol

Monoisotopic Mass:

424.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

186A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2

Literature

Title	Journal
Adenovirus-mediated delivery and expression of a cAMP-dependent protein kinase inhibitor gene to BEAS-2B epithelial cells abolishes the anti-inflammatory effects of rolipram, salbutamol, and prostaglandin E2: a comparison with H-89.	The Journal of pharmacology and experimental therapeutics 20040501