GRADE & PURITY ≥98%

Synonyms

2-[(4-Pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole trihydrochloride | ABT 724 trihydrochloride | AKOS015892086 | 2-[[4-(2-PYRIDINYL)-1-PIPERAZINYL]METHYL]-1H-BENZIMIDAZOLE TRIHYDROCHLORIDE | 2-((4-(Pyridin-2-yl)piperazin-1-yl)methyl)-1H-benzo[d]imi

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Product Describtion:

ABT-724 is a dopamine D4 receptor agonist. ABT-724 has been used in the study of impulsive behavior and penile erection in rats.

Specifications

Synonyms

2-[(4-Pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole trihydrochloride | ABT 724 trihydrochloride | AKOS015892086 | 2-[[4-(2-PYRIDINYL)-1-PIPERAZINYL]METHYL]-1H-BENZIMIDAZOLE TRIHYDROCHLORIDE | 2-((4-(Pyridin-2-yl)piperazin-1-yl)methyl)-1H-benzo[d]imi

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Potent dopamine D4receptor partial agonist (EC50= 12.4 nM; 61% efficacy vs. dopamine). Has no agonist activity at D2receptors (EC50> 10μM). Selective in ratsin vivo; produces penile erection following i.c.v. administration; increases intracavernosal press

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Action Type

AGONIST

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768524
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768524
• Canonical Smiles: C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=N4.Cl.Cl.Cl
• IUPAC Name: 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole;trihydrochloride
• InChIKey: AZFUVPBLKQGSRI-UHFFFAOYSA-N
• INCHI: 1S/C17H19N5.3ClH/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17;;;/h1-8H,9-13H2,(H,19,20);3*1H
• Isomeric SMILES: C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=N4.Cl.Cl.Cl
• PubChem CID: 16759165
• Molecular Weight: 402.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Benzimidazoles Dialkylarylamines N-alkylpiperazines Aralkylamines Aminopyridines and derivatives Imidolactams Benzenoids Imidazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Benzimidazole - Dialkylarylamine - Aminopyridine - N-alkylpiperazine - Aralkylamine - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Imidazole - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a 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)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

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CSNK1D Tchem Casein kinase I delta (4546 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)

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CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

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U2OS (164939 Activities)

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CX3CR1 Tchem C-X3-C chemokine receptor 1 (1686 Activities)

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FPR2 Tchem Lipoxin A4 receptor (3472 Activities)

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FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)

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BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)

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TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

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BRPF1 Tchem Peregrin (2217 Activities)

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HEK-293T (167025 Activities)

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Associated Targets(non-human)

Aplnr Apelin receptor (201 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Gpr119 Glucose-dependent insulinotropic receptor (270 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 40.27, Max Conc. mM: 100
• Molecular Weight: 402.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 401.094 Da
• Monoisotopic Mass: 401.094 Da
• Topological Polar Surface Area: 48.100 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 355.000
• 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: 4

XLogP3