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CGS-21680

CAT: 0013-GTR19231897-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231897-01Size:100 mg
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Description
A potent and selective Adenosine receptor A2A agonist
CAS Number
124182-57-6
Purity
>98%
Smiles
Cl.OC (CCC1C=CC (CCNC2=NC (N) =C3C (N (C4OC (C (NCC) =O) C (O) C4O) C=N3) =N2) =CC=1) =O
Molecular Formula
C23H29N7O6.HCL
Molecular Weight
535.9806
Notes
For research use only.

Chemical Information

Cgs 21680

CGS-21680 is a derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and the hydrogen at position 2 on the adenine is replaced by a 4-(2-carboxyethyl)phenethylamino group. It has a role as an anti-inflammatory agent and an adenosine A2A receptor agonist. It is a member of adenosines, a monocarboxylic acid and a dicarboxylic acid monoamide. It is functionally related to an adenosine.

CAS Number124182-57-6
PubChem CID3086599
IUPAC Name3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
Molecular FormulaC23H29N7O6
Molecular Weight499.5
XLogP0.5
Topological Polar Surface Area198
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity754
SMILES
CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O
InChI
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
InChIKey
PAOANWZGLPPROA-RQXXJAGISA-N
Chemical Structure
2D Structure
2D structure of Cgs 21680
CAS: 124182-57-6
CID: 3086599
Formula: C23H29N7O6
MW: 499.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.5
XLogP30.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass499.21793167
Monoisotopic Mass499.21793167
Topological Polar Surface Area198 Ų
Heavy Atom Count36
Formal Charge0
Complexity754
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
A3304-50CGS 21680
TCL-00273-01CGS 21680 sodium
MBS3841676-01CGS 21680 HCl
A11354-50CGS 21680 50mg
HY-13201A-01CGS 21680 (Hydrochloride)
254951-01CGS 21680 hydrochloride
A11354-100CGS 21680 100mg
A11354-25CGS 21680 25mg
HY-13201CCGS 21680 (sodium)

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