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119137

CGS-21680 hydrochloride hydrate

Name: CGS-21680 hydrochloride hydrate
Brand: MM

≥96% (HPLC), solid, adenosine A2A receptor agonist, Calbiochem^®

Synonym(s):

Adenosine A2A Receptor Agonist I, CGS 21680, Hydrochloride, CGS-21680, CGS21680, 3-(4-(2-((6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-yl)amino)ethyl)phenyl)propanoic acid

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About This Item

Empirical Formula (Hill Notation):

C₂₃H₂₉N₇O₆ · xHCl

CAS Number:

124182-57-6

Molecular Weight:

499.52 (free base basis)

MDL number:

MFCD00078573

UNSPSC Code:

12352200

NACRES:

NA.77

Assay:

≥96% (HPLC)

Form:

solid

Storage condition:

OK to freeze, protect from light

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Properties

Product Name

Adenosine A2A Receptor Agonist I, CGS 21680, Hydrochloride,

assay

≥96% (HPLC)

Quality Segment

100

form

solid

manufacturer/tradename

Calbiochem^®

storage condition

OK to freeze, protect from light

color

white

solubility

DMSO: 100 mM

shipped in

ambient

storage temp.

−20°C

SMILES string

[n]2(c3nc(nc(c3nc2)N)NCCc4ccc(cc4)CCC(=O)O)C1O[C@@H]([C@H]([C@H]1O)O)C(=O)NCC

InChI

1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22?/m0/s1

InChI key

PAOANWZGLPPROA-OFRRTHGGSA-N

Description

General description

CGS 21680 is a potent adenosine A2A receptors agonist (Ki = 27 nM) and xanthin derivative. CGS 21680 HCl exhibits reduced affinity for A2B receptors (Ki = 67 nM), but offers greater selectivity over A1R (Ki = 290 nM) and A3R (88.8 µM). Exerts an anti-inflammatory effect during chronic inflammation and ameliorates the tissue damage associated with collagen-induced arthritis. Been, shown to reduce CCR7 Protein Expression in THP1 macrophages. Shown to delay the progressive deterioration of motor performance and prevent a reduction in brain weight in murine model of Huntington′s disease.

Features and Benefits

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Packaging

Packaged under inert gas

Physical form

Supplied as a hydrochloride salt.

Preparation Note

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 3 months at -20°C.

Other Notes

The molecular weight of CGS 21680 Hydrochloride this compound is batch-specific due to variable water content. For batch-specific molecular weight information, please refer the vial label or the certificate of analysis. The provided molecular weight represents the baseline molecular weight without water.

Legal Information

AQUASTAR is a registered trademark of Merck KGaA, Darmstadt, Germany

CERTIPUR is a registered trademark of Merck KGaA, Darmstadt, Germany

ChemiSphere is a trademark of Merch KGaA, Darmstadt, Germany

Supelco is a registered trademark of Merck KGaA, Darmstadt, Germany

Titripur is a registered trademark of Merck KGaA, Darmstadt, Germany

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Disclaimer

Toxicity: Standard Handling (A)

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c