| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 50mg | |||
| 100mg | |||
| Other Sizes |
| Targets |
PARP-1 ( IC50 = 14.7 nM ); PARP-2 ( IC50 = 0.9 μM )
PARP-1 (Poly(ADP-ribose) polymerase 1). The compound selectively inhibits PARP-1 with an IC50 of 14.7 nM, while showing significantly weaker activity against PARP-2 (IC50=0.9 μM), indicating a high degree of selectivity for PARP-1 over other PARP family members. |
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| ln Vitro |
In a dose-dependent manner, PARP1-IN-5 dihydrochloride (0.1~10 μM; A549 cells) can markedly increase the cytotoxicity of CBP on A549 cells. In SK-OV-3 cells, PARP1-IN-5 dihydrochloride (0.1–10 μM) reduces MCM2-7 expression. The cytotoxic effects of PARP1-IN-5 dihydrochloride (0.1~320 μM) on A549 cells are minimal. Dihydrochloride PARP1-IN-5 (SK-OV-3 cells) has the ability to dramatically lower the PAR level[1]. Via PARP-1, PARP1-IN-5 dihydrochloride has anticancer effects. Dihydrochloride of PARP1-IN-5 may raise the expression of γ-H2AX[1].
In vitro, PARP1-IN-5 dihydrochloride (0.1-10 μM) significantly enhances the cytotoxicity of carboplatin against A549 lung cancer cells in a dose-dependent manner. It reduces PAR levels in SK-OV-3 ovarian cancer cells and increases γ-H2AX expression, indicating DNA damage accumulation. At 0.1-320 μM, the compound shows weak cytotoxicity against A549 cells alone. It also decreases MCM2-7 expression in SK-OV-3 cells. |
| ln Vivo |
The results of PARP1-IN-5 dihydrochloride (1000 mg/kg; po) indicate that there is no statistically significant variation in blood routine or body weight[1]. The inhibitory impact of carboplatin on A549 cells at 50 mg/kg is greatly enhanced by PARP1-IN-5 dihydrochloride (25 and 50 mg/kg; po; 12 days)[1]. The expression of PARP-1 has a favorable correlation with PARP1-IN-5 dihydrochloride (50 mg/kg; po)[1]. Dihydrochloride PARP1-IN-5 has the ability to upregulate γ-H2AX expression while downregulating PAR expression[1].
In vivo, PARP1-IN-5 dihydrochloride (25 and 50 mg/kg; oral; 12 days) at 50 mg/kg significantly enhances the inhibitory effect of carboplatin on A549 tumor xenografts. At 1000 mg/kg, it shows no significant differences in body weight or blood routine parameters. The compound reduces PAR expression and upregulates γ-H2AX expression in tumor tissues, confirming on-target PARP-1 inhibition. |
| Enzyme Assay |
PARP-1 enzymatic activity is measured using a chemiluminescent or colorimetric assay with recombinant PARP-1 protein and a biotinylated NAD+ substrate. The compound is incubated with the enzyme, and the IC50 value (14.7 nM) is determined by measuring the incorporation of PAR polymers. Selectivity against PARP-2 is assessed similarly using recombinant PARP-2 protein (IC50=0.9 μM).
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| Cell Assay |
A549 lung cancer cells or SK-OV-3 ovarian cancer cells are cultured and treated with PARP1-IN-5 dihydrochloride at various concentrations (0.1-320 μM) for 24-72 hours. Cell viability is assessed by CCK-8 or MTT assays. PAR levels are measured by ELISA or Western blot. γ-H2AX expression is detected by immunofluorescence or Western blot as a marker of DNA double-strand breaks.
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| Animal Protocol |
Animal/Disease Models: Mice[1]
Doses: 1000 mg/ kg Route of Administration: Po Experimental Results: There was no significant difference in the body weight and blood routine. Animal/Disease Models: Mice[1] Doses: 25 and 50 mg/kg Route of Administration: Po; 12 days Experimental Results: Dramatically enhanced the inhibitory effect of CBP on A549 cells at 50 mg/kg. Animal/Disease Models: Male Sprague−Dawley (SD) rats[1] Doses: 50 mg/kg (pharmacokinetic/PK Analysis) Route of Administration: Po Experimental Results: Positively correlated with the expression of PARP-1. Female nude mice bearing subcutaneous A549 xenografts are treated with PARP1-IN-5 dihydrochloride at 25 or 50 mg/kg via oral gavage daily for 12 days, alone or in combination with carboplatin. Tumor volume is measured every 2-3 days. At study endpoint, tumors are harvested for PAR and γ-H2AX expression analysis by immunohistochemistry. Body weight and hematological parameters are monitored for toxicity assessment. |
| ADME/Pharmacokinetics |
PARP1-IN-5 dihydrochloride is an orally active compound with molecular weight 537.46 and molecular formula C25H26Cl2N2O5S. It shows favorable oral bioavailability and is formulated for oral administration. Pharmacokinetic parameters such as half-life, Cmax, and AUC are available from the manufacturer but detailed values require consultation of the primary literature or product documentation.
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| Toxicity/Toxicokinetics |
The compound is described as low-toxicity based on in vivo studies showing no significant body weight changes or hematological abnormalities at doses up to 1000 mg/kg. It demonstrates a favorable safety profile in preclinical models. Further comprehensive toxicological evaluations, including histopathological examination of major organs, would be necessary for full safety characterization.
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| References | |
| Additional Infomation |
PARP1-IN-5 dihydrochloride (T9610) is a research-grade PARP-1 inhibitor for cancer research. Its mechanism involves PARP-1 inhibition leading to DNA damage accumulation, synthetic lethality in BRCA-deficient tumors, and enhanced chemosensitization. The compound has not entered clinical trials or received FDA approval. It is for research use only with purity >97%. Storage at -20°C is recommended.
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| Molecular Formula |
C25H26CL2N2O5S
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|---|---|
| Molecular Weight |
537.455343723297
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| Exact Mass |
536.093
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| CAS # |
2823308-89-8
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| Related CAS # |
PARP1-IN-5;2735645-53-9
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| PubChem CID |
162370708
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| Appearance |
Light yellow to green yellow solid powder
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
35
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| Complexity |
720
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CCN1CC2=CC=CS2)CC3=C4C(=C(C=C3O)O)C(=O)C=C(O4)C5=CC=C(C=C5)O.Cl.Cl
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| InChi Key |
VIXDSXSUYRPYIN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H24N2O5S.2ClH/c28-17-5-3-16(4-6-17)23-13-22(31)24-21(30)12-20(29)19(25(24)32-23)15-27-9-7-26(8-10-27)14-18-2-1-11-33-18;;/h1-6,11-13,28-30H,7-10,14-15H2;2*1H
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| Chemical Name |
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]chromen-4-one;dihydrochloride
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| Synonyms |
PARP1-IN-5 dihydrochloride
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 (~232.6 mM)
H2O : ~1 mg/mL (~1.9 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.87 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 20.8 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: ≥ 2.08 mg/mL (3.87 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 20.8 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: ≥ 2.08 mg/mL (3.87 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 | 1.8606 mL | 9.3030 mL | 18.6060 mL | |
| 5 mM | 0.3721 mL | 1.8606 mL | 3.7212 mL | |
| 10 mM | 0.1861 mL | 0.9303 mL | 1.8606 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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