Adenine Hydrochloride Hemihydrate - ≥99% , CAS No.2922-28-3

CAS: 2922-28-3 Cat. No.: A129851 Molecular Weight: 171.59 (anhydrous basis) EC Number: 220-867-0

GRADE & PURITY ≥99%

Synonyms

SMR000875287 | 6-Aminopurine (hydrochloride); Vitamin B4 (hydrochloride) | AM83909 | cis-4-thujanol | BCP9000234 | Isopropyl 1-methyl-4-phenylpiperidine-4-carboxylate | adenine hydrochloride salt | BENZENE, (DIMETHOXYMETHYL)- | Adenine monohydrochloride |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Adenine HCl is a hydrochloride salt form of adenine which is a purine derivative and a nucleobase with a variety of roles in biochemistry
Adenine is a purine nucleobase with a wide range of chemical and biochemical roles in vivo and in vitro. It is a regulatory molecule and a component of DNA, RNA, cofactors (NAD, FAD) and signaling molecules (cAMP).

Specifications

Synonyms

SMR000875287 | 6-Aminopurine (hydrochloride); Vitamin B4 (hydrochloride) | AM83909 | cis-4-thujanol | BCP9000234 | Isopropyl 1-methyl-4-phenylpiperidine-4-carboxylate | adenine hydrochloride salt | BENZENE, (DIMETHOXYMETHYL)- | Adenine monohydrochloride |

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

High affinity adenine receptor agonist (Ki= 18 nM at rat adenine receptor). Inhibits forskolin-stimulated cAMP formation in CHO cells transfected with the adenine receptor; also stimulates GTPγS binding (pEC50values are 8.54 and 7.21 respectively).

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504755039
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755039
• Canonical Smiles: C1=NC2=NC=NC(=C2N1)N.Cl
• IUPAC Name: 7H-purin-6-amine;hydrochloride
• InChIKey: UQVDQSWZQXDUJB-UHFFFAOYSA-N
• INCHI: 1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H
• Isomeric SMILES: C1=NC2=NC=NC(=C2N1)N.Cl
• WGK Germany: 3
• Molecular Weight: 171.59 (anhydrous basis)
• Reaxy-Rn: 4157904
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4157904&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 Imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aminopyrimidine - Pyrimidine - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Hydrochloride - 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

Associated Targets(Human)

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

Discover Target: IDH1

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

PI4K2A Tbio Phosphatidylinositol 4-kinase, PI4K (160 Activities)

Discover Target: PI4K2A

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

Associated Targets(non-human)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 17.16, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 17.16, Max Conc. mM: 100
• Sensitivity: Moisture & Light sensitive
• Molecular Weight: 171.590 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 171.031 Da
• Monoisotopic Mass: 171.031 Da
• Topological Polar Surface Area: 80.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 127.000
• 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: 2

XLogP3