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

CAS: 890-38-0 Cat. No.: D426699 분자식: C₁₀H₁₂N₄O₄ 분자량: 252.23 Beilstein Registry Number: 33517 EC 번호: 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

개요

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

동의어

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

사양 및 순도

Moligand™, 10mM in DMSO

생화학 및 생리적 메커니즘

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

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

이름과 식별자

Pubchem Sid

528755028

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

분자량

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
    • 분류 Purine nucleosides
      • Subclass Purine 2'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 분류: 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
• 설명: 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

관련 대상(인간)

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

작용 메커니즘

화학 및 물리적 특성

• 특정 회전[α]: -16° (C=1,H2O)
• 녹는점(°C): 220°C(dec.)(lit.)
• 분자량: 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