GR 79236 - Moligand™,≥98% , Agonist of A 1 receptor;Agonist of A 2A receptor, CAS No.124555-18-6, Agonist of A 1 receptor;Agonist of A 2A receptor

CAS: 124555-18-6 Cat. No.: G335485 Molecular Weight: 351.36 EC Number: 634-147-2

GRADE & PURITY Moligand™, ≥98%

Synonyms

HY-18978 | H1356 | Q4H682B2VZ | N-[(1S,2S)-2-hydroxy-cyclopentyl]-adenosne | GR 79236 | BRD-K40578143-001-01-8 | GYWXTRVEUURNEW-TVDBPQCTSA-N | (1-Methyl-1H-pyrazol-5-yl)amine | HMS3676N18 | ZEA55518 | J-523291 | N-((1S,2S)-2-Hydroxycyclopentyl)adenosine |

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

GR79236 is a highly potent, selective 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

Specifications

Synonyms

HY-18978 | H1356 | Q4H682B2VZ | N-[(1S, 2S)-2-hydroxy-cyclopentyl]-adenosne | GR 79236 | BRD-K40578143-001-01-8 | GYWXTRVEUURNEW-TVDBPQCTSA-N | (1-Methyl-1H-pyrazol-5-yl)amine | HMS3676N18 | ZEA55518 | J-523291 | N-((1S, 2S)-2-Hydroxycyclopentyl)adenosine |

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of A 1 receptor;Agonist of A 2A receptor

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CC(C(C1)O)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O
• IUPAC Name: (2R,3R,4S,5R)-2-[6-[[(1S,2S)-2-hydroxycyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• InChIKey: GYWXTRVEUURNEW-TVDBPQCTSA-N
• 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
• Isomeric 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
• Molecular Weight: 351.36
• Reaxy-Rn: 46169191
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=46169191&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Purine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: 6-alkylaminopurines Glycosylamines Pentoses Secondary alkylarylamines Aminopyrimidines and derivatives Cyclopentanols Imidolactams N-substituted imidazoles Heteroaromatic compounds Tetrahydrofurans Cyclic alcohols and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Primary alcohols Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-alkylaminopurine - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Cyclopentanol - Monosaccharide - N-substituted imidazole - Imidolactam - Pyrimidine - Tetrahydrofuran - Azole - Cyclic alcohol - Imidazole - Heteroaromatic compound - Secondary alcohol - Azacycle - Oxacycle - Secondary amine - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Alcohol - Organic oxygen compound - Amine - Organooxygen compound - Primary alcohol - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ADORA2A Tclin Adenosine receptor A2a (1 Activities)

Discover Target: ADORA2A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADORA1 Tclin Adenosine receptor A1 (4 Activities)

Discover Target: ADORA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADORA2B Tclin Adenosine A2b receptor (7672 Activities)

Discover Target: ADORA2B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

Discover Target: ADORA3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble to 100 mM in water
• Molecular Weight: 351.360 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 351.154 Da
• Monoisotopic Mass: 351.154 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 474.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1