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Olaparib-bodipy FL | CAS 1380359-84-1
| Catalog Number | F01-0041 |
| Category | BODIPY |
| Molecular Formula | C34H32BF3N6O3 |
| Molecular Weight | 640.46 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Olaparib-bodipy FL is a Bodipy FL-conjugated PARP inhibitor for imaging glioblastoma.
Chemical Information
Product Specification
Application
Computed Properties
| Synonyms | (T-4)-[4-[[3-[[4-[3-[5-[(3,5-Dimethyl-2H-pyrrol-2-ylidene-κN)methyl]-1H-pyrrol-2-yl-κN-1-oxopropyl]-1-piperazinyl]carbonyl]-4-fluorophenyl]methyl]-1(2H)-phthalazinonato]difluoroboron; PARPi-FL; 5,5-Difluoro-7-(3-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazin-1-yl)-3-oxopropyl)-1,3-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide |
| Purity | ≥95% by HPLC |
| IUPAC 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 |
| Canonical SMILES | [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)N4CCN(CC4)C(=O)C5=C(C=CC(=C5)CC6=NNC(=O)C7=CC=CC=C76)F)C)C)(F)F |
| InChI | 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) |
| InChIKey | IGUTVNUEFKPBGK-UHFFFAOYSA-N |
| Storage | Store at -20°C |
Olaparib-bodipy FL, a fluorescently labeled iteration of the PARP inhibitor Olaparib, plays a pivotal role in cancer research and diagnostics.
Cancer Drug Targeting Studies: Delving into the targeting properties of Olaparib in cancer cells, researchers leverage Olaparib-bodipy FL to track the fluorescent molecule through live cell imaging. This method provides insights into the distribution and binding of Olaparib within tumors, shedding light on the drug’s cellular uptake and localization, which, in turn, aids in the advancement of more efficacious cancer therapies.
Mechanistic Studies of DNA Repair: Beyond cancer research, Olaparib-bodipy FL finds utility in exploring DNA repair mechanisms. Through visualizing the binding of Olaparib to the PARP enzyme, scientists gain valuable insights into the inhibition of PARP and its impacts on DNA repair pathways. This knowledge is essential for deciphering the drug’s mode of action and enhancing its clinical efficacy.
High-Throughput Screening: Adaptable for high-throughput screening assays, Olaparib-bodipy FL facilitates the identification of potential drug candidates interacting with the PARP pathway. Fluorescence-based assays enable swift and efficient screening of numerous compounds, expediting the drug discovery process by pinpointing inhibitors with therapeutic potential in cancer treatment.
Immunofluorescence Studies: In the realm of cancer biology research, Olaparib-bodipy FL becomes a valuable asset in immunofluorescence studies aiming to co-localize with other cellular markers. By combining the fluorescent marker with antibodies targeting various cellular proteins, researchers gain insights into the interaction between PARP inhibitors and diverse cellular components. This technique enriches our understanding of how Olaparib operates at the molecular level within cancer cells, offering a nuanced perspective on its mechanisms of action.
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 640.2581036 g/mol |
| Monoisotopic Mass | 640.2581036 g/mol |
| Topological Polar Surface Area | 90Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1430 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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