| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
PDD00031705 targets poly(ADP-ribose) glycohydrolase (PARG), the primary enzyme responsible for hydrolyzing poly(ADP-ribose) (PAR) chains into free ADP-ribose. PARG acts as a key regulator of PAR turnover after DNA damage, and its inhibition prolongs PAR chain persistence on target proteins, including PARP1 itself. By inhibiting PARG, the compound disrupts the normal dynamics of PAR metabolism.
|
|---|---|
| ln Vitro |
HeLa cells demonstrate some toxicity towards PDD00031705 [1].
In vitro, PDD00031705 shows modest toxicity in HeLa cells and is characterized as a cell-inactive inhibitor, meaning it is primarily used in cell-free biochemical systems rather than in live-cell degradation assays. The compound is useful in research applications focused on understanding the physiological and pathological roles of PARG in cellular processes and its implications in cancer biology. |
| ln Vivo |
No specific in vivo activity data is available for PDD00031705. As a cell-inactive inhibitor, its primary application is in biochemical and enzymology studies rather than in animal models. Its effects are studied at the molecular level to understand PARG function in DNA repair pathways without interference from cellular uptake or metabolism issues.
|
| Enzyme Assay |
For in vitro PARG enzyme inhibition assays: Recombinant human PARG enzyme (10-50 ng) is incubated with varying concentrations of PDD00031705 (0.1 nM to 10 uM) in assay buffer (50 mM Tris-HCl, pH 7.4, 10 mM MgCl2, 1 mM DTT). Add poly(ADP-ribose) (PAR) polymer substrate (100 ng). Incubate at 37degC for 30 minutes. Stop the reaction by heating at 95degC for 5 minutes or adding 5% trichloroacetic acid. Measure free ADP-ribose production by HPLC, mass spectrometry, or a coupled enzymatic assay (e.g., using pyruvate kinase/lactate dehydrogenase). Calculate IC50 from dose-response curves.
|
| Cell Assay |
For cell-based assays (limited due to cell-inactive nature): HeLa cells are treated with PDD00031705 (1-100 uM) for 24-48 hours. Cell viability is assessed by MTT assay. PAR levels can be detected by immunofluorescence using an anti-PAR antibody after DNA damage induction (e.g., 100 uM H2O2 or 10 uM alkylating agent). However, significant activity in live cells is not expected.
|
| Animal Protocol |
No specific in vivo animal protocol exists for PDD00031705. As a cell-inactive inhibitor, it is generally not suitable for in vivo administration. Research focuses on biochemical and cell-free systems. If required for in vivo studies, dissolution and formulation would need to be optimized, but no standard protocols are available.
|
| ADME/Pharmacokinetics |
No detailed pharmacokinetic data is available for PDD00031705. The compound has moderate solubility in DMSO and is relatively stable. Its cell-inactive nature suggests poor cellular permeability, which would also limit oral or systemic bioavailability. The compound should be stored as a powder at -20degC and protected from moisture. For obtaining higher solubility in DMSO, warm the tube and use ultrasonic bath if needed.
|
| Toxicity/Toxicokinetics |
No specific toxicity data is available for PDD00031705. In HeLa cells, the compound shows some modest toxicity at higher concentrations, but comprehensive toxicological studies have not been performed. Standard laboratory safety precautions should be taken when handling this research chemical. The compound is not intended for human use.
|
| References | |
| Additional Infomation |
PDD00031705 is a research-grade compound intended for laboratory use only, not for diagnostic or therapeutic applications. It is used as a tool to study PAR metabolism, DNA repair pathways, and the role of PARG in cancer biology. The compound is supplied as a solid powder. Store at -20degC in a dry, dark environment, protected from moisture and light. It is soluble in DMSO at up to 50 mM. For cell-free assays, prepare stock solutions in DMSO and dilute into assay buffer just before use. No clinical trials or approved status exist.
|
| Molecular Formula |
C20H22N6O3S3
|
|---|---|
| Molecular Weight |
490.622079372406
|
| Exact Mass |
490.091
|
| CAS # |
2032096-45-8
|
| PubChem CID |
123131658
|
| Appearance |
Off-white to light yellow solid powder
|
| LogP |
2.9
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
9
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
32
|
| Complexity |
850
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
S(C1C=CC2=C(C=1)N(C1=NC=NS1)C(N2CC1=C(C)N=C(C)S1)=O)(N(C)C1(C)CC1)(=O)=O
|
| InChi Key |
KWGUETFSHQZXMA-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C20H22N6O3S3/c1-12-17(30-13(2)23-12)10-25-15-6-5-14(32(28,29)24(4)20(3)7-8-20)9-16(15)26(19(25)27)18-21-11-22-31-18/h5-6,9,11H,7-8,10H2,1-4H3
|
| Chemical Name |
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,2,4-thiadiazol-5-yl)benzimidazole-5-sulfonamide
|
| Synonyms |
PDD-00031705; PDD 00031705
|
| 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 (~203.82 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.10 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 (5.10 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.10 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0382 mL | 10.1912 mL | 20.3824 mL | |
| 5 mM | 0.4076 mL | 2.0382 mL | 4.0765 mL | |
| 10 mM | 0.2038 mL | 1.0191 mL | 2.0382 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
