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Merck
CN

A111

Adenosine amine congener hydrate

solid, ≥98% (HPLC)

Synonym(s):

ADAC, N6-[4-[[[4-[[[(2-Aminoethyl)amino]carbonyl]methyl]-anilino]carbonyl]methyl]phenyl]adenosine hydrate

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About This Item

Empirical Formula (Hill Notation):
C28H32N8O6 · xH2O
CAS Number:
96760-69-9
Molecular Weight:
576.60 (anhydrous basis)
NACRES:
NA.77
PubChem Substance ID:
24890507
UNSPSC Code:
12352202
MDL number:
MFCD11045962

Key Documents

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Product Name

Adenosine amine congener hydrate, solid, ≥98% (HPLC)

InChI

1S/C28H32N8O6.H2O/c29-9-10-30-21(38)11-16-1-5-18(6-2-16)34-22(39)12-17-3-7-19(8-4-17)35-26-23-27(32-14-31-26)36(15-33-23)28-25(41)24(40)20(13-37)42-28;/h1-8,14-15,20,24-25,28,37,40-41H,9-13,29H2,(H,30,38)(H,34,39)(H,31,32,35);1H2/t20-,24-,25-,28-;/m1./s1

SMILES string

O.NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)[C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)cc2)cc1

InChI key

KPSYUNGHYKDIMQ-LWOJYUBXSA-N

assay

≥98% (HPLC)

form

solid

storage condition

protect from light

color

white

solubility

0.1 M acetic acid: 12 mM
DMSO: soluble

Gene Information

rat ... Adora1(29290)

Biochem/physiol Actions

Potent aqueous-soluble A1 adenosine receptor agonist.

Disclaimer

Photosensitive

Features and Benefits

This compound is featured on the Adenosine Receptors page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
067K4712

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Savvas Frangos et al.
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D K Von Lubitz et al.
European journal of pharmacology, 302(1-3), 43-48 (1996-04-29)
Agonists of adenosine A1 receptors have been frequently proposed as candidates for clinical development in treatment of cerebral ischemia and stroke. Numerous experimental studies have shown that pre- and postischemic administration of these drugs results in a very significant reduction
Tufi Dippe et al.
Arquivos brasileiros de cardiologia, 112(2), 121-128 (2018-12-21)
Obesity is associated with an increased risk of type 2 diabetes mellitus (DM), ischemic heart disease (IHD) and cardiovascular mortality. Several studies have demonstrated the diagnostic and prognostic value of single photon computed tomography-myocardial perfusion scintigraphy (SPECT-MPI) in the evaluation
Adenosine A1 receptor agonists as clinically viable agents for treatment of ischemic brain disorders.
N Bischofberger et al.
Annals of the New York Academy of Sciences, 825, 23-29 (1997-11-25)
Karl Z Lukic et al.
Biomedical engineering online, 5, 54-54 (2006-10-20)
The objective was to determine the repeatability and stability of capnography interfaced with human exposure facility. Capnographic wave signals were obtained from five healthy volunteers exposed to particle-free, filtered air during two consecutive 5 min intervals, 10 min apart, within
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