PD-168077 maleate, the maleate salt of PD168077, is a novel, potent, centrally active and selective dopamine D4 receptor agonist with a Ki of 9 nM. Shows > 400-fold selectivity over D2 and > 300-fold selectivity versus D3 subtypes respectively.
Physicochemical Properties
| Molecular Formula | C24H26N4O5 |
| Molecular Weight | 450.4870 |
| Exact Mass | 450.19 |
| Elemental Analysis | C, 63.99; H, 5.82; N, 12.44; O, 17.76 |
| CAS # | 630117-19-0 |
| Related CAS # | 190383-31-4; 630117-19-0 |
| PubChem CID | 11957665 |
| Appearance | Solid powder |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 33 |
| Complexity | 610 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C(C1=C([H])C([H])=C([H])C(C([H])([H])[H])=C1[H])N([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2C#N)C([H])([H])C1([H])[H].O([H])C(/C(/[H])=C(/[H])\C(=O)O[H])=O |
| InChi Key | NAEUGRPISCANHO-BTJKTKAUSA-N |
| InChi Code | InChI=1S/C20H22N4O.C4H4O4/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21;5-3(6)1-2-4(7)8/h2-8,13H,9-12,15H2,1H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1- |
| Chemical Name | (Z)-but-2-enedioic acid;N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide |
| Synonyms | PD-168077 maleate; PD168077 maleate; PD 168077 maleate |
| 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 | Dopamine D4 receptor ( Ki = 9 nM ) | |
| ln Vitro |
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| ln Vivo |
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| References |
[1]. Topographically based search for an "Ethogram" among a series of novel D(4) dopamine receptor agonists and antagonists. Neuropsychopharmacology. 2000 May;22(5):538-44. [2]. Activation of dopamine D4 receptors induces synaptic translocation of Ca2+/calmodulin-dependent protein kinase II in cultured prefrontal cortical neurons. Mol Pharmacol. 2006 Mar;69(3):813-22. |
Solubility Data
| Solubility (In Vitro) |
DMSO: ~150 mg/mL (~333 mM) H2O: ≥ 0.1 mg/mL (~0.2 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.55 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 (5.55 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 (5.55 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2198 mL | 11.0990 mL | 22.1981 mL | |
| 5 mM | 0.4440 mL | 2.2198 mL | 4.4396 mL | |
| 10 mM | 0.2220 mL | 1.1099 mL | 2.2198 mL |