2-Octynyladenosine , CAS No.90596-75-1

CAS: 90596-75-1 Cat. No.: O668077 Formule: C18H25N5O4 Poids moléculaire: 375.4 PubChem CID: 146207
DISPONIBLE À COMMANDE
Synonyms
2-Octynyladenosine | YT 146 | 2-(1-Octynyl)adenosine | YT-146 | Adenosine, 2-(1-octynyl)- | (2R,3R,4S,5R)-2-(6-amino-2-oct-1-ynylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | 2-O-Ado | 2-(1-octynyl)-adenosine | DTXSID10238211 | BDBM50453216 | AKOS040754
Storage
Room temperature
★
Size
Allemagne (EU)
USA*
Price
Qty
1mg
O668077-1mg
Sur commande · 8–12 semaines

496,26€

744,43€
Enregistrer 248,17 € (33.34%)
5mg
O668077-5mg
Sur commande · 8–12 semaines

1 735,39€

2 603,13€
Enregistrer 867,74 € (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
2-Octynyladenosine | YT 146 | 2-(1-Octynyl)adenosine | YT-146 | Adenosine, 2-(1-octynyl)- | (2R,3R,4S,5R)-2-(6-amino-2-oct-1-ynylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | 2-O-Ado | 2-(1-octynyl)-adenosine | DTXSID10238211 | BDBM50453216 | AKOS040754
Conditions de stockage de stockage
Room temperature
Type d'action
AGONIST
Propriétés du produit
ALogP2.3
Noms et identifiants
Sourires canoniquesCCCCCCC#CC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
IUPAC Name(2R,3R,4S,5R)-2-(6-amino-2-oct-1-ynylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChIKeyNVGGIHKSKVAPEY-XKLVTHTNSA-N
INCHI1S/C18H25N5O4/c1-2-3-4-5-6-7-8-12-21-16(19)13-17(22-12)23(10-20-13)18-15(26)14(25)11(9-24)27-18/h10-11,14-15,18,24-26H,2-6,9H2,1H3,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1
Isomères SMILES CCCCCCC#CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
PubChem CID 146207
Poids moléculaire 375.4

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassNucleosides, nucleotides, and analogues
ClassePurine nucleosides
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPurine nucleosides
Alternative Parents Glycosylamines  Pentoses  6-aminopurines  Aminopyrimidines and derivatives  N-substituted imidazoles  Imidolactams  Tetrahydrofurans  Heteroaromatic compounds  Secondary alcohols  Oxacyclic compounds  Azacyclic compounds  Primary amines  Primary alcohols  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Pyrimidine - Imidolactam - Tetrahydrofuran - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Amine - Primary alcohol - Primary amine - Aromatic heteropolycyclic compound
DescriptionThis 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
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
ADORA2A Tclin Adenosine receptor A2a (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Adora2b Adenosine A2 receptor (1828 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire375.400 g/mol
XLogP32.300
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass375.191 Da
Monoisotopic Mass375.191 Da
Topological Polar Surface Area140.000 Ų
Heavy Atom Count27
Formal Charge0
Complexity552.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
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