| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
Target: DPQ specifically targets poly(ADP-ribose) polymerase-1 (PARP-1), a nuclear enzyme involved in DNA repair and apoptosis. It inhibits PARP-1 with an IC50 of 40 nM, and is approximately 10-fold less potent against PARP-2. DPQ does not compete with ATP and its inhibition is reversible. By inhibiting PARP-1, DPQ blocks PARP-1-mediated DNA damage repair and limits NAD+/ATP depletion, thereby reducing excessive inflammatory responses and preventing PARP-1 mediated apoptosis under ischemic conditions.
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| ln Vitro |
In Vitro Activity: DPQ demonstrates potent inhibition of PARP-1 enzymatic activity with an IC50 of 40 nM. It reduces N-methyl-D-aspartate (NMDA)-induced PARP activation and restores ATP to near-normal levels in neuronal cells. DPQ significantly attenuates neuronal injury in severe NMDA exposure models. It suppresses macrophage-mediated inflammation by inhibiting NF-κB pathway activation and reducing pro-inflammatory cytokine expression (such as TNF-α and IL-6) and oxidative stress. DPQ also inhibits PARP-1-mediated apoptosis under ischemic conditions.
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| ln Vivo |
In Vivo Activity: DPQ has demonstrated significant in vivo efficacy in several disease models. In a rat focal cerebral ischemia model (middle cerebral artery occlusion), administration of DPQ (15 mg/kg, intraperitoneally) both before and after the onset of ischemia led to a significant reduction of infarct volume. DPQ mitigates acute lung injury (ALI) induced by lipopolysaccharide (LPS) challenge in mice. It also exhibits cardiac protective effects and has been used in in vivo studies to determine the loss of γ-H2AX upon irradiation.
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| Enzyme Assay |
In Vitro Enzyme/Receptor Binding Protocol: PARP-1 enzymatic activity assays typically use recombinant PARP-1 enzyme and [3H]NAD+ as substrate. The incorporation of radiolabeled ADP-ribose into acceptor proteins (such as histones) is measured in the presence of varying concentrations of DPQ. Alternatively, biotinylated NAD+ substrates can be used with colorimetric or chemiluminescent detection. IC50 values are determined from dose-response curves. The compound is dissolved in DMSO and diluted in assay buffer to appropriate concentrations.
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| Cell Assay |
In Vitro Cell-Based Assay Protocol: For neuroprotection studies, neuronal cell cultures are exposed to NMDA to induce excitotoxicity and PARP activation. Cells are treated with DPQ at various concentrations (typically 1-100 µM), and PARP activity, ATP levels, and cell viability are measured. For inflammation studies, macrophage or fibroblast-like synoviocyte cultures are treated with DPQ (e.g., 120 µM) 2 hours before TNF-α stimulation. NF-κB activity, cytokine expression, and oxidative stress markers are assessed.
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| Animal Protocol |
In Vivo Animal Assay Protocol: For the rat focal cerebral ischemia model, rats are treated with DPQ (15 mg/kg) via intraperitoneal injection at 24 hours before ischemic injury. Ischemia is induced by middle cerebral artery (MCA) occlusion. Infarct volume is measured after reperfusion. For the LPS-induced acute lung injury model, mice are challenged with LPS and DPQ is administered via appropriate routes. Lung inflammation, injury markers, and survival are assessed. For in vivo formulation, DPQ can be prepared in 5% DMSO + 40% PEG300 + 5% Tween 80 + 50% ddH2O or 5% DMSO + 95% corn oil.
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| ADME/Pharmacokinetics |
Pharmacokinetics: Detailed pharmacokinetic properties of DPQ have not been fully characterized in publicly available sources. The compound has molecular formula C18H26N2O2 and molecular weight 302.41. It is soluble in DMSO (up to 60-100 mg/mL) and ethanol, but insoluble in water. LogP is 2.25, suggesting moderate lipophilicity. The compound is cell-permeable and is expected to cross the blood-brain barrier. Storage conditions: powder at -20°C for up to 3 years; in solvent at -80°C for up to 1 year.
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| Toxicity/Toxicokinetics |
Toxicity: DPQ is classified as harmful (toxicity category C). Safety data indicate that it is toxic and contains a pharmaceutically active ingredient; handling should only be performed by trained personnel. It poses a risk of serious damage to eyes (R41) and danger of serious damage to health by prolonged exposure (R48). It is irritating to eyes, respiratory system, and skin. Hazard statements include H315 (skin irritation), H319 (serious eye irritation), and H335 (may cause respiratory irritation). The compound should be handled with appropriate personal protective equipment (dust mask, eyeshields, gloves).
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| References |
Current Medicinal Chemistry19(23),3907-3921(2012).
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| Additional Infomation |
Additional Information: DPQ has CAS number 129075-73-6, molecular formula C18H26N2O2, and molecular weight 302.41. It is also known as PARP Inhibitor III, 3,4-Dihydro-5-[4-(1-piperidinyl)butoxy]-1(2H)-isoquinolinone, and 5-[4-(1-piperidinyl)-butyloxy]-1,2,3,4-tetrahydroisoquinolin-1-one. The compound has UNII code 5007H57E2L and PubChem CID 9948349. It has melting point 107-109°C and is considered more effective than the traditionally used PARP-1 inhibitor 3-aminobenzamide. DPQ is for research use only and is not approved for human therapeutic applications. It has been cited in high-impact journals including Nature Medicine.
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| Molecular Formula |
C18H26N2O2
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|---|---|
| Molecular Weight |
302.41124
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| Exact Mass |
302.199
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| CAS # |
129075-73-6
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| PubChem CID |
9948349
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
528.8±50.0 °C at 760 mmHg
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| Flash Point |
273.6±30.1 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.544
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| LogP |
2.25
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
22
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| Complexity |
355
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
RVOUDNBEIXGHJY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)
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| Chemical Name |
3,4-dihydro-5-[4-(1-piperidinyl)butoxy]-1(2H)-isoquinolinone
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~330.68 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3068 mL | 16.5338 mL | 33.0677 mL | |
| 5 mM | 0.6614 mL | 3.3068 mL | 6.6135 mL | |
| 10 mM | 0.3307 mL | 1.6534 mL | 3.3068 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.
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