8-Bromoadénosine - ≥98% , CAS No.2946-39-6

CAS: 2946-39-6 Cat. No.: B122941 Formule: C₁₀H₁₂BrN₅O₄ Poids moléculaire: 346.15 Beilstein Registry Number: 627737 Numéro CE: 220-959-0

GRADE & PURITY ≥98%

Synonyms

8-Bromoadénosine | BP-58688 | Bromoadénosine | (2R,3R,4S,5R)-2-(6-amino-8-bromo-8-bromo-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | AKOS001715167 | Q27105621 | NSC-79213 | CHEBI :2312 | MFCD00005733 | NSC 79213 | UNII-85C9T4TXH2 | Z2065682349 | BDB

Storage

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Vue d’ensemble

Inhibiteur de la liaison à l'adénosine

Specifications

Synonymes

8-Bromoadénosine | BP-58688 | Bromoadénosine | (2R,3R,4S,5R)-2-(6-amino-8-bromo-8-bromo-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | AKOS001715167 | Q27105621 | NSC-79213 | CHEBI :2312 | MFCD00005733 | NSC 79213 | UNII-85C9T4TXH2 | Z2065682349 | BDB

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504756322

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756322

Sourires canoniques

C1=NC(=C2C(=N1)N(C(=N2)Br)C3C(C(C(O3)CO)O)O)N

IUPAC Name

(2R,3R,4S,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

InChIKey

VJUPMOPLUQHMLE-UUOKFMHZSA-N

INCHI

1S/C10H12BrN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1

Isomères SMILES

C1=NC(=C2C(=N1)N(C(=N2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N

WGK Allemagne

3

Poids moléculaire

346.15

Beilstein

627737

Reaxy-Rn

1227662

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1227662&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: Glycosylamines 6-aminopurines Pentoses Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Aryl bromides Heteroaromatic compounds Tetrahydrofurans Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organobromides Hydrocarbon derivatives Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Aryl bromide - Aryl halide - Monosaccharide - Imidolactam - N-substituted imidazole - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Tetrahydrofuran - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Primary amine - Organic oxygen compound - Organohalogen compound - Amine - Organobromide - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - 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: purine nucleoside

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

Cibles associées (humaines)

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

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

SIRT2 Tchem NAD-dependent deacetylase sirtuin 2 (3979 Activities)

Discover Target: SIRT2

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

SIRT1 Tchem NAD-dependent deacetylase sirtuin 1 (3505 Activities)

Discover Target: SIRT1

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

Cibles associées (non humaines)

Adora2b Adenosine A2 receptor (1828 Activities)

Discover Target: Adora2b

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO, and DMF. Insoluble in water.,
• Sensibilité: Air Sensitive
• Rotation spécifique [α]: -33°(c=1 in 1N HCl)
• Point de fusion (°C): 211°C
• Poids moléculaire: 346.140 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 345.007 Da
• Monoisotopic Mass: 345.007 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 367.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2946-39-6, the molecular formula is C10H12BrN5O4, and the molecular weight is 346.15 g/mol. InChIKey VJUPMOPLUQHMLE-UUOKFMHZSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.