| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
PARP1-IN-11 targets PARP1 (IC50 = 0.082 uM). It shows complete inhibition of PARP2 and substantially inhibits PARP3, tankyrase 1 (TNKS1), and tankyrase 2 (TNKS2). PARP1 is involved in DNA damage repair, specifically single-strand break repair.
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| ln Vitro |
In cell-free enzyme activity assays using purified PARP1 and NAD+ substrate, PARP1-IN-11 inhibits PARP1 with an IC50 of 0.082 uM. It shows good selectivity over other PARP family members and effectively blocks PARylation activity in a dose-dependent manner.
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| ln Vivo |
In cancer cells with BRCA1/2 deficiencies or DNA repair defects, PARP1-IN-11 (0.1-10 uM) induces synthetic lethality, DNA damage accumulation (gammaH2AX foci formation), and apoptosis. It potentiates the effects of DNA-damaging agents such as temozolomide and cisplatin in various cancer cell lines.
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| Enzyme Assay |
The cell-free PARP1 enzyme inhibition assay is performed in 96-well plates. Purified recombinant human PARP1 (10 nM) is incubated with varying concentrations of PARP1-IN-11 (0.01 nM - 10 uM) in assay buffer containing NAD+ (100 uM) and a biotinylated histone substrate (2 uM). After 30-60 min at room temperature, PARylation is detected by ELISA using a streptavidin-HRP conjugate. IC50 is calculated from dose-response curves.
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| Cell Assay |
BRCA1/2-deficient cancer cells (e.g., MDA-MB-436, HCC1937) are seeded in 96-well plates and treated with PARP1-IN-11 (0.01-10 uM) for 72-96 hours. Cell viability is assessed using CellTiter-Glo or MTT assays. For DNA damage studies, cells are treated for 24 hours and gammaH2AX foci are visualized by immunofluorescence or flow cytometry. Apoptosis is measured by caspase-3/7 activation.
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| Animal Protocol |
In murine xenograft models using BRCA1/2-deficient tumor cells, PARP1-IN-11 is administered intraperitoneally at 10-50 mg/kg daily or every other day for 2-4 weeks. Tumor volume is measured by calipers. Post-treatment, tumors are harvested for analysis of PARylation levels, gammaH2AX (DNA damage marker), and apoptosis (TUNEL, cleaved caspase-3).
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic data for PARP1-IN-11 are limited. Molecular weight: 296.28; formula: C16H12N2O4. The compound is soluble in DMSO. For in vivo studies, formulation in DMSO:PEG300:Tween80:saline (e.g., 10:40:5:45) is recommended. Storage: powder at -20degC for 3 years; in solvent at -80degC for 1 year.
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| Toxicity/Toxicokinetics |
Preclinical toxicity data for PARP1-IN-11 are limited but typical for PARP inhibitors at therapeutic doses in animal studies. Standard safety precautions for research chemicals should be followed. This compound is not approved for human use.
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| References | |
| Additional Infomation |
This is a research-grade PARP1 inhibitor, not an approved drug. It serves as a tool compound for studying DNA repair mechanisms, synthetic lethality in cancer, and the development of anticancer therapeutics. Also investigated as a potential radio- and chemosensitizer.
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| Molecular Formula |
C16H12N2O4
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|---|---|
| Molecular Weight |
296.277483940125
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| Exact Mass |
296.079
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| CAS # |
2482484-87-5
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| PubChem CID |
164517119
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
1.5
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
22
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| Complexity |
483
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1C2=C(C(N)=O)C=CC=C2NC(=O)/C/1=C/C1=CC=C(O)C=C1
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| InChi Key |
JGBVVZIJHAUTTK-JYRVWZFOSA-N
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| InChi Code |
InChI=1S/C16H12N2O4/c17-15(20)11-2-1-3-12-14(11)22-13(16(21)18-12)8-9-4-6-10(19)7-5-9/h1-8,19H,(H2,17,20)(H,18,21)/b13-8-
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| Chemical Name |
(2Z)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-8-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 (~337.5 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.44 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), Suspended 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 2: ≥ 2.5 mg/mL (8.44 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 | 3.3752 mL | 16.8759 mL | 33.7519 mL | |
| 5 mM | 0.6750 mL | 3.3752 mL | 6.7504 mL | |
| 10 mM | 0.3375 mL | 1.6876 mL | 3.3752 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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