N6-Methyl-2'-deoxyadenosine - ≥99% , CAS No.2002-35-9

CAS: 2002-35-9 Cat. No.: M122955 Molecular Weight: 265.27

GRADE & PURITY ≥99%

Synonyms

Q27107487 | Adenosine, 2'-deoxy-N-methyl- | N(6)-Methyl-2'-deoxyadenosine | NSC 66392 | n6-methyldeoxyadenosine | 6-(METHYLAMINO)PURINE DEOXYRIBOSIDE | AKOS024260286 | hydrogen phosphorus, PH3 | SCHEMBL548569 | N(sup 6)-Isopentenyladenosine | (2R,3S,5R)-2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

N6-Methyl-2′-deoxyadenosine (N6-Me-dAdo) is a precursor of N6-methyl 2′-deoxyadenosine 3′,5′-bisphosphate (N6MABP), a competitive and selective inhibitor of P2Y1 receptors.

Specifications

Synonyms

Q27107487 | Adenosine, 2'-deoxy-N-methyl- | N(6)-Methyl-2'-deoxyadenosine | NSC 66392 | n6-methyldeoxyadenosine | 6-(METHYLAMINO)PURINE DEOXYRIBOSIDE | AKOS024260286 | hydrogen phosphorus, PH3 | SCHEMBL548569 | N(sup 6)-Isopentenyladenosine | (2R, 3S, 5R)-2

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

N6-Methyl-2′-deoxyadenosine (N6-Me-dAdo) is a precursor of N6-methyl 2′-deoxyadenosine 3′, 5′-bisphosphate (N6MABP), a competitive and selective inhibitor of P2Y1 receptors. It is located at the transcription start site and plays a role in increased gene e

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504757626
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757626
• Canonical Smiles: CNC1=C2C(=NC=N1)N(C=N2)C3CC(C(O3)CO)O
• IUPAC Name: (2R,3S,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
• InChIKey: DYSDOYRQWBDGQQ-XLPZGREQSA-N
• INCHI: 1S/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1
• Isomeric SMILES: CNC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O
• WGK Germany: 3
• Molecular Weight: 265.27
• Reaxy-Rn: 58374180
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=58374180&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Purine nucleosides
      • Subclass Purine 2'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Purine nucleosides
• Subclass: Purine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine 2'-deoxyribonucleosides
• Alternative Parents: 6-alkylaminopurines Secondary alkylarylamines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine 2'-deoxyribonucleoside - 6-alkylaminopurine - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Secondary aliphatic/aromatic amine - N-substituted imidazole - Pyrimidine - Imidolactam - Tetrahydrofuran - Heteroaromatic compound - Azole - Imidazole - Secondary alcohol - Secondary amine - Oxacycle - Organoheterocyclic compound - Azacycle - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purine 2'-deoxyribonucleosides. These are compounds consisting of a purine linked to a ribose which lacks a hydroxyl group at position 2.
• External Descriptors: purine 2'-deoxyribonucleoside

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)

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible in water
• Sensitivity: Heat sensitive
• Molecular Weight: 265.270 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 265.117 Da
• Monoisotopic Mass: 265.117 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 321.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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