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GR79236

CAT: 0804-HY-18978-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-18978-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GR79236 is a highly potent, selective and orally active adenosine A1 receptor agonist with a Kis of 3.1 nM and 1300 nM for A1 and A2 receptors, respectively. GR79236 has anti-nociceptive and anti-inflammatory actions[1][2].
CAS Number
124555-18-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Adenosine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/GR79236.html
Concentration
10mM
Purity
99.89
Solubility
DMSO : ≥ 100 mg/mL|H2O : 100 mg/mL (ultrasonic)
Smiles
OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C2N=CN=C3N[C@@H]4[C@@H](O)CCC4)O1)O)O
Molecular Formula
C15H21N5O5
Molecular Weight
351.36
Precautions
H302, H315, H319, H335
References & Citations
[1]Sneyd JR, et al. Multicentre evaluation of the adenosine agonist GR79236X in patients with dental pain after third molar extraction. Br J Anaesth. 2007 May;98 (5) :672-676.|[2]L J Knutsen, et al. N-substituted adenosines as novel neuroprotective A (1) agonists with diminished hypotensive effects. J Med Chem. 1999 Sep 9;42 (18) :3463-77.|[3]P Strong, et al. Suppression of non-esterified fatty acids and triacylglycerol in experimental animals by the adenosine analogue GR79236. Clin Sci (Lond) . 1993 Jun;84 (6) :663-9.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

N-((1S,trans)-2-Hydroxycyclopentyl)adenosine

(2R,3R,4S,5R)-2-[6-[[(1S,2S)-2-hydroxycyclopentyl]amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol is a purine nucleoside.

CAS Number124555-18-6
PubChem CID9884817
IUPAC Name(2R,3R,4S,5R)-2-[6-[[(1S,2S)-2-hydroxycyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC15H21N5O5
Molecular Weight351.36
XLogP-0.1
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity474
SMILES
C1C[C@@H]([C@H](C1)O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C15H21N5O5/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19)/t7-,8-,9+,11+,12+,15+/m0/s1
InChIKey
GYWXTRVEUURNEW-TVDBPQCTSA-N
Chemical Structure
2D Structure
2D structure of N-((1S,trans)-2-Hydroxycyclopentyl)adenosine
CAS: 124555-18-6
CID: 9884817
Formula: C15H21N5O5
MW: 351.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.36
XLogP3-0.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass351.15426879
Monoisotopic Mass351.15426879
Topological Polar Surface Area146 Ų
Heavy Atom Count25
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GTR19178903GR79236
A20745-2GR79236 2mg
A20745-5GR79236 5mg
A20745-100GR79236 100mg
A20745-50GR79236 50mg
A20745-10GR79236 10mg

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