2′,5′-Dideoxyadenosine - Moligand™, ≥98% , CAS No.6698-26-6

CAS: 6698-26-6 Cat. No.: D335356 Molecular Weight: 235.24

GRADE & PURITY Moligand™, ≥98%

Synonyms

(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-ol | (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-ol' | 2',5'-Dideoxyadenosine - CAS 6698-26-6 | SCHEMBL284737 | (2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-methyltetrahydrofuran-3-ol | 2'5'-Dideoxyadenosi

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

2′,5′-Dideoxyadenosine is a cell-permeable inhibitor of adenylate cyclase, a protein involved in cellular signaling and mast cell granule secretion in immunologic response.

Specifications

Synonyms

(2R, 3S, 5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-ol | (2R, 3S, 5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-ol' | 2', 5'-Dideoxyadenosine - CAS 6698-26-6 | SCHEMBL284737 | (2R, 3S, 5R)-5-(6-Amino-9H-purin-9-yl)-2-methyltetrahydrofuran-3-ol | 2'5'-Dideoxyadenosi

Specifications & Purity

Moligand™, ≥98%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Product Properties

• pKa: pKa: 3.82 (Predicted)

Names and Identifiers

• Canonical Smiles: CC1C(CC(O1)N2C=NC3=C(N=CN=C32)N)O
• IUPAC Name: (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-ol
• InChIKey: FFHPXOJTVQDVMO-DSYKOEDSSA-N
• INCHI: 1S/C10H13N5O2/c1-5-6(16)2-7(17-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7,16H,2H2,1H3,(H2,11,12,13)/t5-,6+,7-/m1/s1
• Isomeric SMILES: C[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)O
• WGK Germany: 3
• Molecular Weight: 235.24
• Reaxy-Rn: 25642290
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25642290&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class 2',5'-dideoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: 2',5'-dideoxyribonucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 2',5'-dideoxyribonucleosides
• Alternative Parents: 6-aminopurines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2',5'-dideoxyribonucleoside - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - N-substituted imidazole - Pyrimidine - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Tetrahydrofuran - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2',5'-dideoxyribonucleosides. These are nucleosides characterized by a purine or pyrimidine base, which is N-linked to a 2',5'-dideoxyribose 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(Human)

SK-N-SH (1499 Activities)

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Associated Targets(non-human)

COS-7 (515 Activities)

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PC-12 (7051 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO (30 mg/mL), water (20 mg/mL) at 50° C, ethanol (10 mg/mL) at 50° C, and methanol (10 mg/mL - clear, colorless solution).
• Refractive Index: n20D1.83 (Predicted)
• Boil Point(°C): ~546.96° C at 760 mmHg (Predicted)
• Melt Point(°C): 176-178° C
• Molecular Weight: 235.240 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 235.107 Da
• Monoisotopic Mass: 235.107 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 292.000
• 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