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

CAS: 90596-75-1 Cat. No.: O668077 分子式: C18H25N5O4 分子量: 375.4 PubChem CID: 146207
注文可能
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
USA
ドイツ (EU)*
Price
Qty
1mg
O668077-1mg
受注生産 · 8~12週間

$571.90

$857.90
保存 $286.00 (33.34%)
5mg
O668077-5mg
受注生産 · 8~12週間

$1,999.90

$2,999.90
保存 $1,000.00 (33.33%)
Enter a quantity for the sizes you want to add.
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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

同義語
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
保管条件
Room temperature
アクションタイプ
AGONIST
製品の性質
ALogP2.3
名前と識別子
カノニカル・スマイルCCCCCCC#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
異性体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
分子量 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
分類Purine 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
説明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
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
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
関連ターゲット(非人間)
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Adora2b Adenosine A2 receptor (1828 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
分子量375.400 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
ソリューション計算機
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