3'-Amino-3'-deoxyadenosine(3-ADA) - ≥97% , CAS No.2504-55-4

CAS: 2504-55-4 Cat. No.: A341098 Molecular Weight: 266.26

GRADE & PURITY ≥97%

Synonyms

ILDPUOKUEKVHIL-QYYRPYCUSA-N | 9H-Purine, 6-amino-9-(3-amino-3-deoxy-.beta.-D-ribofuranosyl)- | Spalgomycin | 9H-Purine, 6-amino-9-(3-amino-3-deoxy-beta-D-ribofuranosyl)- | 3'-deoxy-3'-aminoadenosine | (9-(3'-Amino-3'-deoxyribofuranosyl)adenine) | 4-Amino-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

3′-Amino-3′-deoxyadenosine (3-ADA) is an important nucleoside found in ribonucleic acid (RNA). It is a derivative of adenosine and a key component in the synthesis of proteins. It is also involved in the regulation of gene expression and plays a role in the regulation of metabolic processes. In addition, 3′-Amino-3′-deoxyadenosine can act as an inhibitor of certain enzymes involved in the synthesis of proteins.

Specifications

Synonyms

ILDPUOKUEKVHIL-QYYRPYCUSA-N | 9H-Purine, 6-amino-9-(3-amino-3-deoxy-.beta.-D-ribofuranosyl)- | Spalgomycin | 9H-Purine, 6-amino-9-(3-amino-3-deoxy-beta-D-ribofuranosyl)- | 3'-deoxy-3'-aminoadenosine | (9-(3'-Amino-3'-deoxyribofuranosyl)adenine) | 4-Amino-

Specifications & Purity

≥97%

Storage

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.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)N)O)N
• IUPAC Name: (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
• InChIKey: ILDPUOKUEKVHIL-QYYRPYCUSA-N
• INCHI: 1S/C10H14N6O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N)O)N
• Molecular Weight: 266.26
• Reaxy-Rn: 1224867
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1224867&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Purine nucleosides
      • Subclass Purine 3'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Purine nucleosides
• Subclass: Purine 3'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine 3'-deoxyribonucleosides
• Alternative Parents: Glycosylamines Pentoses 6-aminopurines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Tetrahydrofurans 1,3-aminoalcohols Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Azacyclic compounds Monoalkylamines Organopnictogen compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine 3'-deoxyribonucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Pyrimidine - Imidolactam - Tetrahydrofuran - Azole - 1,3-aminoalcohol - Imidazole - Heteroaromatic compound - Secondary alcohol - 1,2-aminoalcohol - Organoheterocyclic compound - Oxacycle - Azacycle - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Alcohol - Amine - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purine 3'-deoxyribonucleosides. These are compounds consisting of a purine linked to a ribose which lacks a hydroxyl group at position 3.
• 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)

ADORA3 Tchem Adenosine receptor A3 (1 Activities)

Discover Target: ADORA3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

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

ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

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

ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

Discover Target: ADORA3

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

Associated Targets(non-human)

Semliki Forest virus (705 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

• Molecular Weight: 266.260 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 266.113 Da
• Monoisotopic Mass: 266.113 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 334.000
• 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