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C141

CGS-21680 hydrochloride hydrate

≥98% (HPLC), Adenosine A2A receptor agonist, solid

Synonym(s):

2-p-(2-Carboxyethyl)phenethylamino-5′-N-ethylcarboxamidoadenosine hydrochloride hydrate

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About This Item

Empirical Formula (Hill Notation):
C23H29N7O6 · HCl · xH2O
CAS Number:
124182-57-6
Molecular Weight:
535.98 (anhydrous basis)
UNSPSC Code:
12352200
PubChem Substance ID:
24277698
NACRES:
NA.77
MDL number:
MFCD11045878
Assay:
≥98% (HPLC)
Form:
solid
Quality level:
100
Storage condition:
desiccated
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Product Name

CGS-21680 hydrochloride hydrate, solid

assay

≥98% (HPLC)

Quality Level

100

form

solid

storage condition

desiccated

color

white

solubility

DMSO: >10 mg/mL, 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 20 mg/mL

storage temp.

−20°C

SMILES string

O.Cl.CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(NCCc4ccc(CCC(O)=O)cc4)nc23

InChI

1S/C23H29N7O6.ClH.H2O/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);1H;1H2/t16-,17+,18-,22+;;/m0../s1

InChI key

VIRPCGAECNOLOO-VBQNEDDFSA-N

Gene Information

human ... ADORA2A(135), ADORA2B(136)

Biochem/physiol Actions

Adenosine receptor agonist, which possesses selectivity for A2 verses A1 receptors.

Disclaimer

Hygroscopic

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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