Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 12 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Olaparib (AZD2281, KU0059436) is a selective inhibitor of PARP1/2 with IC50 of 5 nM/1 nM, 300-times less effective against tankyrase-1.
A potent inhibitor of PARP
| ALogP | 1.9 |
|---|
| Pubchem Sid | 504769720 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769720 |
| Canonical Smiles | C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F |
| IUPAC Name | 4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one |
| InChIKey | FDLYAMZZIXQODN-UHFFFAOYSA-N |
| INCHI | 1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) |
| Isomeric SMILES | C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F |
| Alternate CAS | 763113-22-0 |
| NSC Number | 747856 |
| MeSH Entry Terms | AZD 2281;AZD-2281;AZD221;AZD2281;Lynparza;olaparib |
| Molecular Weight | 434.46 |
| Reaxy-Rn | 12051534 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12051534&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Phthalazines |
| Direct Parent | Phthalazinones |
| Alternative Parents | 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Pyridazines and derivatives Piperazines Aryl fluorides Cyclopropanecarboxylic acids and derivatives Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalazinone - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Pyridazine - Piperazine - Aryl fluoride - Cyclopropanecarboxylic acid or derivatives - 1,4-diazinane - Aryl halide - Heteroaromatic compound - Vinylogous halide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group. |
| External Descriptors | cyclopropanes - monofluorobenzenes - phthalazines - N-acylpiperazine |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Apr 03, 2026 | O126162 | |
| Certificate of Analysis | Feb 05, 2026 | O126162 | |
| Certificate of Analysis | Dec 12, 2025 | O126162 | |
| Certificate of Analysis | Jul 09, 2025 | O126162 | |
| Certificate of Analysis | May 24, 2025 | O126162 | |
| Certificate of Analysis | May 24, 2025 | O126162 | |
| Certificate of Analysis | May 24, 2025 | O126162 | |
| Certificate of Analysis | May 12, 2025 | O126162 | |
| Certificate of Analysis | May 12, 2025 | O126162 | |
| Certificate of Analysis | Jan 04, 2025 | O126162 | |
| Certificate of Analysis | Jan 04, 2025 | O126162 | |
| Certificate of Analysis | Jan 04, 2025 | O126162 | |
| Certificate of Analysis | Oct 15, 2024 | O126162 | |
| Certificate of Analysis | Oct 15, 2024 | O126162 | |
| Certificate of Analysis | Oct 15, 2024 | O126162 | |
| Certificate of Analysis | Oct 15, 2024 | O126162 | |
| Certificate of Analysis | Oct 15, 2024 | O126162 | |
| Certificate of Analysis | Oct 10, 2024 | O126162 | |
| Certificate of Analysis | Oct 10, 2024 | O126162 | |
| Certificate of Analysis | Oct 10, 2024 | O126162 | |
| Certificate of Analysis | Oct 10, 2024 | O126162 | |
| Certificate of Analysis | Oct 10, 2024 | O126162 | |
| Certificate of Analysis | Jul 03, 2024 | O126162 | |
| Certificate of Analysis | Oct 13, 2023 | O126162 | |
| Certificate of Analysis | Jul 20, 2023 | O126162 | |
| Certificate of Analysis | Jul 10, 2023 | O126162 | |
| Certificate of Analysis | Feb 03, 2023 | O126162 | |
| Certificate of Analysis | Sep 27, 2022 | O126162 | |
| Certificate of Analysis | Dec 22, 2021 | O126162 | |
| Certificate of Analysis | Dec 22, 2021 | O126162 | |
| Certificate of Analysis | Dec 22, 2021 | O126162 |
| Solubility | Soluble in DMSO (33 mg/mL), ethanol (1.7 mg/mL), and water (<1 mg/mL) at 25 °C. |
|---|---|
| Sensitivity | Air sensitive;Heat sensitive |
| Molecular Weight | 434.500 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 434.175 Da |
| Monoisotopic Mass | 434.175 Da |
| Topological Polar Surface Area | 82.100 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 790.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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| 5. Huiling Zhou, Chenxin Duan, Huimin Qin, Chaonan Huang, Jingxuan Hou, Yanming Chen, Jin Zhu, Cangcang Xu, Jian Jin, Tao Zhuang. (2023) Synthesis and structural characterization of a novel palbociclib-kaempferol cocrystal with improved tabletability and synergistic antitumor activity. JOURNAL OF MOLECULAR STRUCTURE, [PMID:] [10.1016/j.molstruc.2023.135101] |
| 6. Ren-Jiang Kong, Xin-Yu Li, Jia-Qi Huang, Xiang Zhou, Fu-An Deng, Yan-Mei Li, Ling-Shan Liu, Shi-Ying Li, Hong Cheng. (2022) A self-delivery photodynamic sensitizer for enhanced DNA damage by PARP inhibition. Biomaterials Science, 11 (1): (162-169). [PMID:36398488] [10.1039/D2BM01320G] |
| 7. Chenxin Duan, Yanming Chen, Yuxin Zhang, Feifei Liang, Wenwen Liu, Xinyi Xiao, Cangcang Xu, Tao Zhuang, Chao Hao, Yin Chen. (2022) Two Cocrystals of Olaparib with Flavonoids toward Sustained Release: Structure, Dissolution Behavior, and Anticancer Activity Analysis. CRYSTAL GROWTH & DESIGN, [PMID:] [10.1021/acs.cgd.2c00370] |
| 8. Huiping Hu, Yu Zhang, Wenting Ji, Hao Mei, Tingting Wu, Zihao He, Kaiping Wang, Chen Shi. (2022) Hyaluronic acid-coated and Olaparib-loaded PEI − PLGA nanoparticles for the targeted therapy of triple negative breast cancer. JOURNAL OF MICROENCAPSULATION, [PMID:34859741] [10.1080/02652048.2021.2014586] |
| 9. Jiejie Sun, Jingzhou Liu, Chunhong Gao, Jinpeng Zheng, Jinbang Zhang, Yaning Ding, Wei Gong, Meiyan Yang, Zhiping Li, Yuli Wang, Yang Yang, Chunsheng Gao. (2021) Targeted delivery of PARP inhibitors to neuronal mitochondria via biomimetic engineered nanosystems in a mouse model of traumatic brain injury. Acta Biomaterialia, [PMID:34958970] [10.1016/j.actbio.2021.12.023] |
| 10. Meng Ding, Lei Xu, Yumeng Zhang, Wei Li, Yuqing Zhao. (2021) Simultaneous quantification and ADME prediction of AD-1 and its eight metabolites in rat feces, and screening of PARP-1 inhibitors through molecular docking. JOURNAL OF MOLECULAR STRUCTURE, [PMID:] [10.1016/j.molstruc.2021.131016] |
| 11. Jingyan Yi, Xin Luo, Jinshan Xing, Aharon Gedanken, Xiukun Lin, Chunxiang Zhang, Gan Qiao. (2023) Micelle encapsulation zinc-doped copper oxide nanocomposites reverse Olaparib resistance in ovarian cancer by disrupting homologous recombination repair. Bioengineering & Translational Medicine, 8 (3): (e10507). [PMID:37206208] [10.1002/btm2.10507] |
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