ABT-724 trihydrochloride is a novel, potent and highly selective dopamine D4 receptor agonist with an EC50 of 12.4 nM. It was created as a potential medication to treat erectile dysfunction. It has a good side-effect profile and may be helpful in treating erectile dysfunction.
Physicochemical Properties
| Molecular Formula | C₁₇H₂₂CL₃N₅ |
| Molecular Weight | 402.749080181122 |
| Exact Mass | 401.094 |
| Elemental Analysis | C, 50.70; H, 5.51; Cl, 26.41; N, 17.39 |
| CAS # | 587870-77-7 |
| Related CAS # | ABT-724; 70006-24-5 |
| PubChem CID | 16759165 |
| Appearance | Solid powder |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 25 |
| Complexity | 355 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | Cl.Cl.Cl.C1=CC=C(N2CCN(CC3=NC4=CC=CC=C4N3)CC2)N=C1 |
| InChi Key | AZFUVPBLKQGSRI-UHFFFAOYSA-N |
| InChi Code | 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 |
| Chemical Name | 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole;trihydrochloride |
| Synonyms | ABT-724 trihydrochloride; ABT724 triHCl; ABT 724 hydrochloride; ABT-724 (3HCl) |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Targets | D4 Receptor |
| ln Vitro | ABT-724 displays a selective biochemical profile, as demonstrated by its lack of binding affinity for over 70 neurotransmitter/uptake/ion channels, such as D2, D3, or D5 receptors, at concentrations up to 10 μM. There's a low affinity (Ki = 2780 nM) for 5-HT1A receptors. At concentrations of 10 μM, ABT-724 does not inhibit PDE activity of PDE1, PDE5, or PDE6[1]. |
| ln Vivo | ABT-724 (8.8 μg/kg; subcutaneous injection; daily; for 5 days; male adult Wistar rats) treatment dose-dependently promotes penile erection when administered subcutaneously to conscious rats[1]. |
| Animal Protocol |
Male adult Wistar rats (~300 g) 8.8 μg/kg Subcutaneous injection; daily; for 5 days |
| References |
[1]. Activation of dopamine D4 receptors by ABT-724 induces penile erection in rats. Proc Natl Acad Sci U S A. 2004 Apr 27;101(17):6758-63. |
Solubility Data
| Solubility (In Vitro) |
H2O: ≥ 100 mg/mL (~248.3 mM) DMSO: ~20 mg/mL (~49.7 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.21 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.21 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (6.21 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 100 mg/mL (248.29 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4829 mL | 12.4146 mL | 24.8293 mL | |
| 5 mM | 0.4966 mL | 2.4829 mL | 4.9659 mL | |
| 10 mM | 0.2483 mL | 1.2415 mL | 2.4829 mL |