Immethridine dihydrobromide - ≥99%(HPLC) , CAS No.699020-93-4

CAS: 699020-93-4 Cat. No.: I288913 Molecular Weight: 321.01 PubChem CID: 16759172

GRADE & PURITY ≥99%(HPLC)

Synonyms

ImmethridineDihydrobromide | BCP27655 | FT-0737890 | AKOS024457048 | 4-(1H-imidazol-5-ylmethyl)pyridine;dihydrobromide | Immethridine (hydrobromide) | E98773 | 4-(1H-Imidazol-4-ylmethyl)pyridine dihydrobromide | 4-(1H-Imidazol-4-ylmethyl)-pyridine dihydro

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

ImmethridineDihydrobromide | BCP27655 | FT-0737890 | AKOS024457048 | 4-(1H-imidazol-5-ylmethyl)pyridine;dihydrobromide | Immethridine (hydrobromide) | E98773 | 4-(1H-Imidazol-4-ylmethyl)pyridine dihydrobromide | 4-(1H-Imidazol-4-ylmethyl)-pyridine dihydro

Specifications & Purity

≥99%(HPLC)

Biochemical and Physiological Mechanisms

Potent and highly selective histamine H3receptor agonist (pEC50= 9.74) that displays 300-fold selectivity over the H4receptor (pKivalues are 9.07 and 6.61 respectively). Does not bind to H1or H2receptors at concentrations up to 10μM..

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Purity

≥99%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=CN=CC=C1CC2=CN=CN2.Br.Br
• IUPAC Name: 4-(1H-imidazol-5-ylmethyl)pyridine;dihydrobromide
• InChIKey: CYNKWHIKNDIVDR-UHFFFAOYSA-N
• INCHI: 1S/C9H9N3.2BrH/c1-3-10-4-2-8(1)5-9-6-11-7-12-9;;/h1-4,6-7H,5H2,(H,11,12);2*1H
• Isomeric SMILES: C1=CN=CC=C1CC2=CN=CN2.Br.Br
• PubChem CID: 16759172
• Molecular Weight: 321.01

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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

Associated Targets(non-human)

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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: 32.1, Max Conc. mM: 100
• Molecular Weight: 321.010 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 320.93 Da
• Monoisotopic Mass: 318.932 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 132.000
• 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: 3

XLogP3