2-Methoxyadenosine - Moligand™,≥97% , CAS No.24723-77-1

CAS: 24723-77-1 Cat. No.: S175885 Molecular Weight: 297.27

GRADE & PURITY Moligand™, ≥97%

Synonyms

(2R,3R,4S,5R)-2-(6-Amino-2-methoxy-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | E47DV78P45 | NSC-36899 | AS-52369 | SCHEMBL990075 | (2R,3R,4S,5R)-2-(6-AMINO-2-METHOXYPURIN-9-YL)-5-(HYDROXYMETHYL)OXOLANE-3,4-DIOL | Adenosine, 2-methoxy- | (2R,3R

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Spongosine (2-Methoxyadenosine) is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc.

Specifications

Synonyms

(2R, 3R, 4S, 5R)-2-(6-Amino-2-methoxy-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3, 4-diol | E47DV78P45 | NSC-36899 | AS-52369 | SCHEMBL990075 | (2R, 3R, 4S, 5R)-2-(6-AMINO-2-METHOXYPURIN-9-YL)-5-(HYDROXYMETHYL)OXOLANE-3, 4-DIOL | Adenosine, 2-methoxy- | (2R, 3R

Specifications & Purity

Moligand™, ≥97%

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.

Grade

Moligand™

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
• IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
• InChIKey: AJACDNCVEGIBNA-KQYNXXCUSA-N
• INCHI: 1S/C11H15N5O5/c1-20-11-14-8(12)5-9(15-11)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1
• Isomeric SMILES: COC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
• Molecular Weight: 297.27

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: Glycosylamines Pentoses 6-aminopurines Aminopyrimidines and derivatives Alkyl aryl ethers N-substituted imidazoles Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Alkyl aryl ether - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Imidolactam - Pyrimidine - Oxolane - Azole - Heteroaromatic compound - Imidazole - Secondary alcohol - Organoheterocyclic compound - Ether - Oxacycle - Azacycle - Amine - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Organic oxygen 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: 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(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Candida albicans (78123 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Saccharomyces pastorianus (26 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 297.270 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 297.107 Da
• Monoisotopic Mass: 297.107 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 377.000
• 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