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| Targets |
PARP1 (poly(ADP-ribose) polymerase 1). PARPi-FL is a small-molecule fluorescent inhibitor targeting PARP1. PARP1 is a nuclear enzyme that plays a critical role in DNA repair, particularly in the base excision repair pathway. By detecting DNA damage, PARP1 catalyzes the synthesis of poly(ADP-ribose) (PAR) chains, which recruit other DNA repair proteins to the site of damage. PARP1 is often overexpressed in cancer cells, making it a promising target for cancer therapy and imaging. PARPi-FL is a potent PARP inhibitor with an IC50 of 12 nM. The compound binds selectively to PARP1 and is utilized as a fluorescent imaging agent. PARPi-FL colocalizes with PARP immunostaining in multiple cancer cell lines in vivo and accumulates in tumor cells and tumor-associated macrophages.
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| ln Vitro |
PARPi-FL is a potent PARP inhibitor with an IC50 of 12 nM. The compound binds selectively to PARP1 and is utilized as a fluorescent imaging agent. PARPi-FL colocalizes with PARP immunostaining in multiple cancer cell lines in vivo and accumulates in tumor cells and tumor-associated macrophages. The compound's fluorescent properties allow for visualization of PARP1 in cells and tissues, facilitating tumor detection, diagnosis, and surgical guidance. PARPi-FL is used for imaging glioblastoma and detecting oral cancer. The compound's high affinity and selectivity for PARP1, combined with its strong green fluorescence, make it a powerful tool for PARP1 imaging and targeted drug screening studies.
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| ln Vivo |
PARPi-FL has been studied in vivo as a fluorescent imaging agent for tumor detection. The compound accumulates in tumor cells and tumor-associated macrophages, allowing for visualization of tumors in vivo. PARPi-FL has been used for imaging glioblastoma and detecting oral cancer. The compound's ability to colocalize with PARP immunostaining in multiple cancer cell lines in vivo confirms its target specificity. PARPi-FL's fluorescent properties enable real-time imaging of tumors, facilitating surgical guidance and tumor detection. Detailed in vivo pharmacokinetic and imaging data are available from preclinical studies. PARPi-FL is for research use only and is not for human therapeutic use.
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| Enzyme Assay |
PARP1 enzyme inhibition assays are performed using recombinant PARP1 enzyme and a fluorescent or radiolabeled substrate (e.g., biotinylated NAD+). The enzyme is incubated with the substrate in assay buffer (50 mM Tris-HCl pH 8.0, 10 mM MgCl₂, 1 mM DTT) at room temperature for 30-60 minutes. PARP1 activity is measured by the incorporation of labeled NAD+ into PAR chains. PARPi-FL is serially diluted in DMSO and added to the reaction mixture. The IC50 for PARP1 inhibition is 12 nM. Each concentration is tested in duplicate, and IC50 values are calculated by non-linear regression analysis. Appropriate positive controls (e.g., olaparib) and vehicle controls are included to validate the assay.
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| Cell Assay |
Cellular PARP1 inhibition and imaging are evaluated in cancer cell lines (e.g., glioblastoma, oral cancer). Cells are cultured in appropriate media at 37°C with 5% CO₂ and treated with PARPi-FL at concentrations ranging from 0.1 to 10 μM for 1-24 hours. PARP1 binding and localization are visualized by fluorescence microscopy. PARP1 activity in cell lysates is assessed by measuring PAR formation. Cell viability is assessed using MTT or LDH assays. Each experiment includes vehicle controls (DMSO) and appropriate positive controls (e.g., olaparib) to validate the assay systems.
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| Animal Protocol |
In vivo imaging of PARPi-FL is performed in mouse models of cancer, including glioblastoma and oral cancer xenografts. The compound is administered intravenously or intraperitoneally at doses determined by preclinical studies. Fluorescence imaging is performed using appropriate imaging systems (e.g., IVIS, confocal microscopy). Tumor accumulation and biodistribution are assessed by measuring fluorescence intensity in tumors and normal tissues. The compound's ability to guide surgical resection is evaluated in tumor resection models. Sample sizes typically range from 6-10 animals per group.
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| ADME/Pharmacokinetics |
Molecular Weight: 640.46. Formula: C34H32BF3N6O3. CAS No.: 1380359-84-1. IUPAC Name: Boron, (4-((3-((4-(3-(5-((3,5-dimethyl-2H-pyrrol-2-ylidene-.kappa.N)methyl)-1H-pyrrol-2-yl-.kappa.N)-1-oxopropyl)-1-piperazinyl)carbonyl)-4-fluorophenyl)methyl)-1(2H)-phthalazinonato)difluoro-, (T-4). Synonyms: PARPi-FL; Olaparib-bodipy FL; PARPiFL. Appearance: Solid. Purity: Typically >95%. Solubility: Soluble in DMSO. Storage: Typically at -20°C. PARPi-FL is a fluorescent PARP1 inhibitor used for imaging and tumor detection.
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| Toxicity/Toxicokinetics |
No comprehensive toxicology data are publicly available for PARPi-FL. The compound is intended for research use only and has not undergone full preclinical toxicology evaluation required for clinical development. As a fluorescent imaging agent, PARPi-FL is used at relatively low doses, and toxicity is expected to be minimal. Standard toxicity studies would include acute toxicity assessment in rodents and genotoxicity screening. The compound is for research use only and not for human therapeutic use.
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| References | |
| Additional Infomation |
Olaparib-BODIPY FL is currently undergoing clinical trial NCT03085147 (a dye for detecting tongue and oral cancer).
The boron dipyrrole methylene-modified olaparib fluorescent imaging agent is a poly(ADP-ribose) polymerase type 1 (PARP1) fluorescent imaging agent based on the PARP1 inhibitor olaparib, in which the cyclopropane group of olaparib is replaced by the green fluorescent dye boron dipyrrole methylene (BODIPY) fluorophore (FL), possessing potential fluorescent imaging activity. After administration, the olaparib binding moiety in the fluorescent PARP1 inhibitor PARPi-FL specifically targets and binds to PARP1, which is typically overexpressed in cancer cells. Cancer cells expressing PARP1 can be observed via fluorescent imaging. PARP1 is a ribozyme that catalyzes post-translational ADP-ribosylation of nucleoproteins; it is activated by single-strand (SS) DNA breaks and is overexpressed in some tumor cells; it plays a crucial role in DNA repair, tumor cell resistance, and survival. PARPi-FL is also known as Olaparib-bodipy FL and PARPiFL. Its IUPAC name is Boron, (4-((3-((4-(3-(5-((3,5-dimethyl-2H-pyrrol-2-ylidene-.kappa.N)methyl)-1H-pyrrol-2-yl-.kappa.N)-1-oxopropyl)-1-piperazinyl)carbonyl)-4-fluorophenyl)methyl)-1(2H)-phthalazinonato)difluoro-, (T-4). PARPi-FL is a small-molecule fluorescent inhibitor targeting PARP1 with an IC50 of 12 nM. The compound binds selectively to PARP1 and is utilized as a fluorescent imaging agent, facilitating tumor detection, diagnosis, and surgical guidance. PARPi-FL is used for imaging glioblastoma and detecting oral cancer. No clinical trials have been reported for this compound. PARPi-FL is for research use only. |
| Molecular Formula |
C34H32BF3N6O3
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| Molecular Weight |
640.47
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| Exact Mass |
640.258
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| CAS # |
1380359-84-1
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| PubChem CID |
70697686
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| Appearance |
Yellow to orange solid powder
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
47
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| Complexity |
1430
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
IGUTVNUEFKPBGK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C34H32BF3N6O3/c1-21-17-22(2)43-31(21)20-25-9-8-24(44(25)35(43,37)38)10-12-32(45)41-13-15-42(16-14-41)34(47)28-18-23(7-11-29(28)36)19-30-26-5-3-4-6-27(26)33(46)40-39-30/h3-9,11,17-18,20H,10,12-16,19H2,1-2H3,(H,40,46)
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| Chemical Name |
4-[[3-[4-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
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| Synonyms |
PARPiFL; PARPi FL; PARPi-FL
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 1.5614 mL | 7.8068 mL | 15.6135 mL | |
| 5 mM | 0.3123 mL | 1.5614 mL | 3.1227 mL | |
| 10 mM | 0.1561 mL | 0.7807 mL | 1.5614 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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