| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
PARP-2-IN-1 targets poly(ADP-ribose) polymerase 2 (PARP-2), a member of the PARP family of enzymes that catalyze the transfer of ADP-ribose units from NAD+ to target proteins. PARP-2 is involved in DNA repair, transcription regulation, and other cellular processes. The compound is a potent and selective inhibitor of PARP-2 with an IC₅0 of 11.5 nM. Its selectivity for PARP-2 over other PARP family members makes it a valuable tool for studying the specific functions of PARP-2.
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| ln Vitro |
In vitro, PARP-2-IN-1 is a potent and selective inhibitor of PARP-2 with an IC₅0 of 11.5 nM. Its high potency and selectivity make it a valuable tool for studying PARP-2 biology. The compound is used to dissect isoform-specific PARP functions in various cellular processes, including DNA repair, transcription, and cell death. Its effects on PARP-2 activity are typically assessed in enzymatic assays using recombinant PARP-2 and NAD+.
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| ln Vivo |
In vivo studies of PARP-2-IN-1 are likely focused on evaluating its efficacy in animal models of diseases where PARP-2 plays a role, such as cancer, neurodegeneration, and inflammation. As a selective PARP-2 inhibitor, the compound may offer advantages over pan-PARP inhibitors by reducing off-target toxicity. Further in vivo studies are needed to fully characterize its pharmacokinetic properties, bioavailability, and efficacy in various disease models.
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| Enzyme Assay |
For in vitro enzyme/receptor binding assays, PARP-2-IN-1 is evaluated using PARP-2 enzymatic activity assays. The compound is incubated with recombinant PARP-2 enzyme, NAD+, and a suitable substrate (such as histones or automodification) at various concentrations. PARP activity is quantified using methods such as radioactive incorporation of [32P]-NAD+, chemiluminescent detection of ADP-ribosylated products, or fluorescence-based assays. IC₅0 values are determined from dose-response curves. Selectivity profiling against other PARP family members is performed to confirm specificity.
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| Cell Assay |
For in vitro cellular experiments, PARP-2-IN-1 is tested in cell lines to evaluate its effects on PARP-2 activity and downstream processes. Cells are cultured in appropriate media and treated with various concentrations of the compound. PARP-2 inhibition is assessed by measuring ADP-ribosylation levels in cell lysates using Western blotting with anti-PAR antibodies. The compound's effects on DNA repair, cell viability, and proliferation are assessed using standard assays.
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| Animal Protocol |
For in vivo animal experiments, PARP-2-IN-1 can be administered to animals via various routes, including oral gavage, intravenous injection, or intraperitoneal injection. The compound's efficacy can be evaluated in tumor models or other disease models where PARP-2 plays a role. Typical dosing regimens may range from 1 to 50 mg/kg. Pharmacodynamic markers such as ADP-ribosylation levels are measured in tissues. Tumor volume, body weight, and overall health are monitored.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of PARP-2-IN-1 are not extensively detailed in the provided references. As a small molecule with a molecular weight of 465.4, it may have reasonable oral bioavailability and tissue distribution. Detailed parameters such as Cₘₐₓ, Tₘₐₓ, AUC, half-life, and clearance would need to be determined through comprehensive PK studies. The compound's metabolism and excretion pathways remain to be fully characterized.
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| Toxicity/Toxicokinetics |
Toxicological data for PARP-2-IN-1 are limited, as it is primarily a research tool. As a PARP-2 inhibitor, its toxicity would depend on the importance of PARP-2 for normal cellular function. Comprehensive toxicology studies including acute and repeated-dose toxicity, genotoxicity, and cardiotoxicity assessments would be needed for further development. Appropriate safety precautions should be taken when handling this compound.
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| References | |
| Additional Infomation |
PARP-2-IN-1 is a research compound used to study PARP-2 biology and develop selective PARP-2-targeted therapies. No clinical trials or regulatory approvals have been reported for this compound as a therapeutic agent. It is available from various chemical suppliers for research purposes only. The compound is a valuable tool for dissecting isoform-specific PARP biology in cancer, neurodegeneration, and inflammation.
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| Molecular Formula |
C21H19F4N5O3
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|---|---|
| Molecular Weight |
465.400878190994
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| Exact Mass |
465.142
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| CAS # |
2115698-83-2
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| PubChem CID |
132576436
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| Appearance |
White to off-white solid powder
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| LogP |
1.9
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
33
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| Complexity |
767
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| Defined Atom Stereocenter Count |
1
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| SMILES |
N1(CC(F)(F)F)CC[C@H](C(NC2=CC(CN3C4=C(C=CC=C4)C(=O)NC3=O)=CN=C2F)=O)C1
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| InChi Key |
JZKVDRXHUJSBJE-ZDUSSCGKSA-N
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| InChi Code |
InChI=1S/C21H19F4N5O3/c22-17-15(27-18(31)13-5-6-29(10-13)11-21(23,24)25)7-12(8-26-17)9-30-16-4-2-1-3-14(16)19(32)28-20(30)33/h1-4,7-8,13H,5-6,9-11H2,(H,27,31)(H,28,32,33)/t13-/m0/s1
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| Chemical Name |
(3S)-N-[5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluoropyridin-3-yl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
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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 (~214.9 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.37 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 (5.37 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 | 2.1487 mL | 10.7434 mL | 21.4869 mL | |
| 5 mM | 0.4297 mL | 2.1487 mL | 4.2974 mL | |
| 10 mM | 0.2149 mL | 1.0743 mL | 2.1487 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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