8-Aminoadenine - ≥98%(HPLC) , CAS No.28128-33-8

CAS: 28128-33-8 Cat. No.: A288024 Molecular Weight: 150.14

GRADE & PURITY ≥98%(HPLC)

Synonyms

1H-Purine-6,8-diamine (9CI) | 1H-Purine-6,8-diamine | SCHEMBL42313 | Q88 | NSC21698 | NSC-21698 | A923992 | 7H-purine-6,8-diamine | AKOS025244128 | AKOS024457949 | 8-Aminoadenine | 9H-Purine-6,8-diamine | DTXSID20402507 | Q27464691 | C15483 | AB-323/40464

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1H-Purine-6, 8-diamine (9CI) | 1H-Purine-6, 8-diamine | SCHEMBL42313 | Q88 | NSC21698 | NSC-21698 | A923992 | 7H-purine-6, 8-diamine | AKOS025244128 | AKOS024457949 | 8-Aminoadenine | 9H-Purine-6, 8-diamine | DTXSID20402507 | Q27464691 | C15483 | AB-323/40464

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Adenine receptor agonist (Ki= 0.0341μM in HEK293 cells expressing an adenine binding site). Displays 190-fold increased potency at the human binding site over the rat adenine receptor (rAde1R) (Ki= 6.51μM).

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=NC(=C2C(=N1)N=C(N2)N)N
• IUPAC Name: 7H-purine-6,8-diamine
• InChIKey: PFUVOLUPRFCPMN-UHFFFAOYSA-N
• INCHI: 1S/C5H6N6/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H,(H5,6,7,8,9,10,11)
• Isomeric SMILES: C1=NC(=C2C(=N1)N=C(N2)N)N
• Molecular Weight: 150.14
• Reaxy-Rn: 9614
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9614&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aminopyrimidines and derivatives Imidolactams Aminoimidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aminopyrimidine - Imidolactam - Pyrimidine - Aminoimidazole - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:2eq.HCl, Max Conc. mg/mL: 15.01, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 7.51, Max Conc. mM: 50
• Molecular Weight: 150.140 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 150.065 Da
• Monoisotopic Mass: 150.065 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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