2′-Deoxyinosine - Moligand™, 10mM in DMSO , CAS No.890-38-0

CAS: 890-38-0 Cat. No.: D426699 Formula: C₁₀H₁₂N₄O₄ Molecular Weight: 252.23 Beilstein Registry Number: 33517 EC Number: 212-964-1

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

9-(2-deoxy-beta-D-erythro-pentofuranosyl)-Hypoxanthine | 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one | bmse000942 | 1871BC26-669C-4B3A-8203-11AAECAA0F70 | 9-(2-Deoxy-b-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one | BDBM504

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

2′-Deoxyinosine is a nucleoside composed of hypoxanthine attached to 2′-deoxyribose via a β-N9-glycosidic bond. 2′-Deoxyinosine in DNA can arise from deamination of adenosine. 2′-deoxyinsine can be used as a model compound to study the chemistry of adduct formation and radical chemistry that may affect DNA structures. 2′-Deoxyinosine is used to produce hybridization-sensitive fluorescent DNA probes with self-avoidance ability.

Specifications

Synonyms

9-(2-deoxy-beta-D-erythro-pentofuranosyl)-Hypoxanthine | 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one | bmse000942 | 1871BC26-669C-4B3A-8203-11AAECAA0F70 | 9-(2-Deoxy-b-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one | BDBM504

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

2 ′ - deoxyinosine is a substance that is passed by hypoxanthine β- A nucleoside formed by the connection of N9 glycosidic bond and 2 '- deoxyribose. 2 '- deoxyinosine in DNA can come from the deamination of adenosine. 2 '- deoxyinosine can be used as a m

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Grade

Moligand™

Names and Identifiers

Pubchem Sid

528755028

Canonical Smiles

C1C(C(OC1N2C=NC3=C2N=CNC3=O)CO)O

IUPAC Name

9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

InChIKey

VGONTNSXDCQUGY-RRKCRQDMSA-N

INCHI

1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)CO)O

WGK Germany

3

Molecular Weight

252.23

Beilstein

33517

Reaxy-Rn

25897708

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25897708&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: Hypoxanthines Hydroxypyrimidines N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine 2'-deoxyribonucleoside - Hypoxanthine - Imidazopyrimidine - Purine - Hydroxypyrimidine - N-substituted imidazole - Pyrimidine - Tetrahydrofuran - Heteroaromatic compound - Azole - Imidazole - Secondary alcohol - Azacycle - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Organopnictogen compound - 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)

ADA Tclin Adenosine deaminase (129 Activities)

Discover Target: ADA

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

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: -16° (C=1,H2O)
• Melt Point(°C): 220°C(dec.)(lit.)
• Molecular Weight: 252.230 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 252.086 Da
• Monoisotopic Mass: 252.086 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 377.000
• 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