| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 25mg |
|
||
| Other Sizes |
Purity: ≥98%
| Targets |
PD0176078 targets N-type voltage-gated calcium channels (Cav2.2), which are expressed primarily in neurons and are involved in the regulation of neurotransmitter release at synapses. By blocking N-type calcium channels, the compound inhibits calcium influx into neurons, reducing neurotransmitter release and modulating neuronal excitability.
|
|---|---|
| ln Vitro |
In vitro, PD0176078 demonstrates potent blockade of N-type calcium channels. By inhibiting calcium influx through Cav2.2 channels, the compound reduces neurotransmitter release and neuronal excitability. Its selectivity for N-type over other calcium channel subtypes contributes to its pharmacological profile.
|
| ln Vivo |
In vivo, PD0176078 has been evaluated in preclinical models of pain and other neurological conditions. As an N-type calcium channel blocker, it has the potential to reduce pain transmission by inhibiting neurotransmitter release from primary afferent neurons. The compound's ability to modulate neuronal excitability supports its investigation for pain and other indications.
|
| Enzyme Assay |
In vitro electrophysiological assays for N-type calcium channel blockade involve patch-clamp recording of Cav2.2 channels expressed in heterologous systems (e.g., HEK-293 cells) or in isolated neurons. PD0176078 is applied at varying concentrations, and the inhibition of calcium currents is measured. IC₅₀ values are calculated from dose-response curves.
|
| Cell Assay |
Cellular assays are performed using neuronal cell lines or primary neurons expressing N-type calcium channels. Cells are treated with PD0176078 at various concentrations, and calcium influx is measured using calcium-sensitive fluorescent dyes upon depolarization. The compound's ability to inhibit calcium influx through N-type channels is determined.
|
| Animal Protocol |
In vivo studies are conducted in rodent models of pain, such as the formalin test, neuropathic pain models, or visceral pain models. PD0176078 is administered intraperitoneally or intravenously at various doses. Pain behaviors are assessed, and the compound's analgesic effects are evaluated.
|
| ADME/Pharmacokinetics |
PD0176078 (molecular weight 388.49, formula C₂₃H₃₀F₂N₂O) is a small-molecule compound. It is soluble in DMSO and is typically stored at -20°C. Its physicochemical properties support its use in both in vitro and in vivo studies.
|
| Toxicity/Toxicokinetics |
Preclinical toxicity studies of PD0176078 have been limited, as the compound is primarily used as a research tool. No significant toxicity has been reported in the available literature. The compound's safety profile supports its use for studying N-type calcium channel function.
|
| References |
Bioorg Med Chem. 2006 Aug 1;14(15):5333-9.
|
| Additional Infomation |
PD0176078 is a newly discovered N-type calcium channel blocker. Its mechanism involves blocking N-type voltage-gated calcium channels (Cav2.2), reducing calcium influx and neurotransmitter release. The compound is a valuable research tool for studying calcium channel function and pain mechanisms. PD0176078 has not received regulatory approval for clinical use.
|
| Molecular Formula |
C23H30F2N2O
|
|---|---|
| Molecular Weight |
388.4939
|
| Exact Mass |
388.232
|
| CAS # |
248922-46-5
|
| PubChem CID |
9823703
|
| Appearance |
Off-white to light yellow solid powder
|
| LogP |
5.2
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
10
|
| Heavy Atom Count |
28
|
| Complexity |
422
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
CC(C)C[C@@H](C(=O)NCCCC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)NC
|
| InChi Key |
QGJKMAIASNMXFI-QFIPXVFZSA-N
|
| InChi Code |
InChI=1S/C23H30F2N2O/c1-16(2)15-22(26-3)23(28)27-14-4-5-21(17-6-10-19(24)11-7-17)18-8-12-20(25)13-9-18/h6-13,16,21-22,26H,4-5,14-15H2,1-3H3,(H,27,28)/t22-/m0/s1
|
| Chemical Name |
(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-(methylamino)pentanamide
|
| 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 |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~257.4 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.44 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (6.44 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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 (6.44 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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5741 mL | 12.8703 mL | 25.7407 mL | |
| 5 mM | 0.5148 mL | 2.5741 mL | 5.1481 mL | |
| 10 mM | 0.2574 mL | 1.2870 mL | 2.5741 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
COA