| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
PDD-00017272 targets poly(ADP-ribose) glycohydrolase (PARG), an enzyme that catalyzes the hydrolysis of poly(ADP-ribose) (PAR) chains. PAR chains are synthesized by PARP enzymes in response to DNA damage and play a critical role in DNA repair. By degrading PAR, PARG regulates the dynamics of PARylation and the recruitment of DNA repair proteins. Inhibiting PARG with PDD-00017272 prevents the degradation of PAR, leading to the accumulation of PAR chains and the disruption of DNA repair processes.
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| ln Vitro |
PARG [poly (ADP ribose) glycohydrolase] inhibitor
In vitro, PDD-00017272 is a potent inhibitor of PARG. It has an EC50 of 4.8 nM in biochemical assays, making it a highly potent inhibitor. Its activity is typically assessed in biochemical assays measuring the hydrolysis of PAR by PARG. Its potency and selectivity for PARG over other enzymes make it a valuable tool for studying PARG biology. |
| ln Vivo |
In vivo, PDD-00017272 is used to study the role of PARG in DNA repair and disease. Its ability to inhibit PARG and disrupt DNA repair processes makes it a valuable tool for investigating the potential of PARG inhibition as a therapeutic strategy. Specific in vivo efficacy data, including dosing regimens and animal models, would be detailed in the primary literature.
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| Enzyme Assay |
The inhibitory activity of PDD-00017272 is assessed using in vitro biochemical assays. Recombinant PARG is incubated with a PAR substrate and varying concentrations of the compound. The hydrolysis of PAR is measured, and the EC50 is calculated from the dose-response curve. Its selectivity is confirmed by testing it against other PARP family members and related enzymes.
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| Cell Assay |
The cellular activity of PDD-00017272 is evaluated in cell-based assays, such as the cellular POM (PARP-1 On-Membrane) assay, where its EC50 is 9.2 nM. Cells are treated with the compound, and its effect on PAR levels and DNA repair is assessed. Its ability to sensitize cells to DNA-damaging agents is also evaluated.
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| Animal Protocol |
In animal studies, PDD-00017272 would typically be administered to mice via intraperitoneal or oral administration. In models of cancer, its effect on tumor growth and its ability to sensitize tumors to chemotherapy or radiotherapy would be assessed. Its pharmacokinetic properties and toxicity would also be evaluated.
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| ADME/Pharmacokinetics |
PDD-00017272 is a small molecule with a molecular weight of 531.67 g/mol and a chemical formula of C23H25N5O4S3. It is typically stored as a powder at -20°C. It has a purity of ≥97%. Detailed pharmacokinetic parameters, such as half-life and bioavailability, are available from preclinical studies.
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| Toxicity/Toxicokinetics |
Formal toxicology data for PDD-00017272 is not extensively documented in the provided sources, as it is a research compound. Its safety profile has not been established in comprehensive toxicology studies. However, its use in preclinical models at efficacious doses suggests it is tolerated in those contexts. Its use is limited to research applications.
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| References | |
| Additional Infomation |
PDD-00017272 (CAS: 1945950-20-8) is a potent PARG inhibitor with EC50 values in the low nanomolar range. Its ability to inhibit PARG and disrupt DNA repair makes it a valuable tool for studying the role of PARG in DNA repair and for validating PARG as a therapeutic target. It is available from various commercial suppliers for research purposes.
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| Molecular Formula |
C23H25N5O4S3
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|---|---|
| Exact Mass |
531.106
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| Elemental Analysis |
C, 51.96; H, 4.74; N, 13.17; O, 12.04; S, 18.09
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| CAS # |
1945950-20-8
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| PubChem CID |
134169694
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
733.6±70.0 °C at 760 mmHg
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| Flash Point |
397.4±35.7 °C
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| Vapour Pressure |
0.0±2.4 mmHg at 25°C
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| Index of Refraction |
1.705
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| LogP |
2.85
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
35
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| Complexity |
955
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C1C=CC2=C(C(N(CC3=CN=C(C)S3)C(N2CC2=C(C)N=C(C)S2)=O)=O)C=1)(NC1(C)CC1)(=O)=O
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| InChi Key |
QOEXRJYTAZZRPL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H25N5O4S3/c1-13-20(34-15(3)25-13)12-27-19-6-5-17(35(31,32)26-23(4)7-8-23)9-18(19)21(29)28(22(27)30)11-16-10-24-14(2)33-16/h5-6,9-10,26H,7-8,11-12H2,1-4H
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| Chemical Name |
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
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| Synonyms |
PDD00017272; PDD-00017272; PDD 00017272
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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 : ≥ 25 mg/mL (~47.02 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (1.88 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 10.0 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.) |
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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