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Olaparib-bodipy FL | 1380359-84-1
| Catalog Number | F01-0041 |
| Category | BODIPY |
| Molecular Formula | C34H32BF3N6O3 |
| Molecular Weight | 640.46 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| F01-0041 | -- | $-- |
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Product Introduction
Olaparib-bodipy FL is a Bodipy FL-conjugated PARP inhibitor for imaging glioblastoma.
Chemical Information |
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|---|---|
| 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) |
| InChI Key | IGUTVNUEFKPBGK-UHFFFAOYSA-N |
- Product Specification
| Storage | Store at -20°C |
Computed Properties | |
|---|---|
| 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 |
Applications of Fluorescent Probes & Dyes
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