| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
PARP-1 0.25 nM (IC50) PARP-2 2.34 nM (IC50)
PARP-1 (Poly(ADP-ribose) polymerase 1) and PARP-2. The compound inhibits PARP-1 with an IC50 of 0.25 nM and PARP-2 with an IC50 of 2.34 nM, demonstrating potent activity against both targets. It also shows antiproliferative activity against various cancer cell lines with IC50 values ranging from 0.30 μM (HCT116) to 33.69 μM (SW480). |
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| ln Vitro |
Compound 13f, PARP-1-IN-3, exhibits strong anticancer properties against HCT116, DLD-1, SW480, and NCM460 cells, with IC50 values of 0.30, 2.83, 33.69, and 486.87 μM, respectively[1]. -1-IN-3 (0.3-3 μM; 24-48 h) prevents HCT116 cells from migrating and forming colonies [1]. HCT116 cells accumulate DNA double-strand breaks when exposed to PARP-1-IN-3 (0.3–3 μM; 48 h) [1]. HCT116 cells experience a reduction in mitochondrial membrane potential and ultimately undergo apoptosis as a result of PARP-1-IN-3 (0.3-7.5 μM; 48-72 h) causing cell cycle arrest [1].
In vitro, PARP-1-IN-3 (compound 13f; 48 hours) exhibits potent anticancer efficacy against HCT116, DLD-1, SW480, and NCM460 cell lines with IC50 values of 0.30, 2.83, 33.69, and 486.87 μM, respectively. At 0.3-3 μM for 24-48 hours, it inhibits colony formation and migration in HCT116 cells. At 0.3-7.5 μM for 48-72 hours, it induces G2/M cell cycle arrest, reduces mitochondrial membrane potential, and triggers apoptosis in HCT116 cells. |
| ln Vivo |
In vivo activity data for PARP-1-IN-3 are limited as the compound is a research-grade inhibitor. Based on its potent in vitro activity and mechanism of action (PARP inhibition, DNA damage accumulation, apoptosis induction), it is expected to show antitumor efficacy in xenograft models, particularly in tumors with BRCA mutations or other DNA repair deficiencies. Further in vivo studies are warranted.
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| Enzyme Assay |
PARP-1 and PARP-2 enzymatic inhibition is measured using a chemiluminescent or radiometric assay with recombinant PARP-1/PARP-2 proteins and NAD+ substrate. The compound is incubated with the enzyme, and the IC50 values (0.25 nM for PARP-1, 2.34 nM for PARP-2) are determined by measuring poly(ADP-ribose) polymer formation. Selectivity profiling against other PARP family members may also be performed.
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| Cell Assay |
Apoptosis Analysis[1]
Cell Types: HCT116 cells Tested Concentrations: 0.3, 1.5, 7.5 μM Incubation Duration: 48 and 72 h Experimental Results: Increased the percentage of total apoptotic cells from 1.05% (control group) to 79.49% (7.5 μM). Cell Cycle Analysis[1] Cell Types: HCT116 cells Tested Concentrations: 0.3, 1.5, 7.5 μM Incubation Duration: 48 and 72 h Experimental Results: Blocked the cell cycle progression at G2/M phase. Western Blot Analysis[1] Cell Types: HCT116 cells Tested Concentrations: 0.3, 1, 3 μM Incubation Duration: 48 h Experimental Results: Increased expression levels of γH2AX in a concentration- dependent manner. Western Blot Analysis[1] Cell Types: HCT116 cells Tested Concentrations: 0.3, 1, 3 μM Incubation Duration: 48 h Experimental Results: Increased the expression levels of Bax, cleaved Caspase-3 and cleaved-PARP, and diminished the expression level of Bcl-2. HCT116, DLD-1, SW480 (colorectal cancer), and NCM460 (normal colon epithelial) cells are cultured and treated with PARP-1-IN-3 at various concentrations for 48 hours. Cell viability is assessed by CCK-8 or MTT assays. Colony formation and migration assays are performed at 0.3-3 µM for 24-48 hours. Cell cycle analysis is performed by flow cytometry, and apoptosis is detected by Annexin V/PI staining and mitochondrial membrane potential measurement. |
| Animal Protocol |
Specific in vivo protocols for PARP-1-IN-3 are not yet established in the available literature. Standard protocols for PARP inhibitor evaluation involve oral or intraperitoneal administration in xenograft mouse models (e.g., BRCA-deficient tumors) at doses determined from pharmacokinetic studies. Tumor growth inhibition, PARP activity in tumors, and biomarker analysis (γ-H2AX, apoptosis markers) would be assessed.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic parameters for PARP-1-IN-3 are not fully characterized. The compound has molecular formula C21H17BrN2O3 and molecular weight 425.28. It is a benzamide derivative with good solubility characteristics. Further studies are needed to determine its oral bioavailability, half-life, and tissue distribution in preclinical models.
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| Toxicity/Toxicokinetics |
No comprehensive toxicity data are currently available for PARP-1-IN-3. As a potent PARP inhibitor, its safety profile would need to be evaluated in formal toxicology studies. Standard assessments would include acute and repeated-dose toxicity, hematological parameters, and histopathological examination of major organs. The compound's selectivity for PARP-1/2 over other targets may contribute to a favorable safety profile.
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| References | |
| Additional Infomation |
PARP-1-IN-3 (T78157) is a benzamide analogue and potent PARP-1 inhibitor for cancer research. Its mechanism involves PARP inhibition leading to DNA damage accumulation, synthetic lethality in BRCA-deficient cells, and apoptosis induction. The compound shows selectivity for cancer cells over normal cells (NCM460 IC50=486.87 μM vs HCT116 IC50=0.30 μM). No clinical trial or FDA approval information is available. Purity is typically >99%.
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| Molecular Formula |
C21H17BRN2O3
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| Molecular Weight |
425.275284528732
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| Exact Mass |
424.042
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| CAS # |
2976342-33-1
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| PubChem CID |
168355539
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| Appearance |
White to light yellow solid powder
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| LogP |
3.8
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
27
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| Complexity |
508
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C(=C1)C(=O)N)OCC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Br
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| InChi Key |
VYGPONYCLGMRIN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H17BrN2O3/c22-16-10-8-15(9-11-16)21(26)24-17-5-3-4-14(12-17)13-27-19-7-2-1-6-18(19)20(23)25/h1-12H,13H2,(H2,23,25)(H,24,26)
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| Chemical Name |
2-[[3-[(4-bromobenzoyl)amino]phenyl]methoxy]benzamide
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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 : 125 mg/mL (293.92 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 | 2.3514 mL | 11.7570 mL | 23.5139 mL | |
| 5 mM | 0.4703 mL | 2.3514 mL | 4.7028 mL | |
| 10 mM | 0.2351 mL | 1.1757 mL | 2.3514 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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