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Ibrutinib
PCI-32765;1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one
CAS:936563-96-1
Chemical Formula:C25H25N6O2
MW:440.5
Availability: R&D; Commercialization
Ibrutinib
⬤ CAS No.936563-96-1
⬤ Packaging type：
20kg barrel；5kg barrel；1kg bag；500g bag ; Customized Packaging
| English Name | Ibrutinib |
| CAS No. | 936563-96-1 |
| Chemical Formula | C25H25N6O2 |
| Molecular Weight | 440.5 |
| Related Categories | API; small molecule inhibitors; pharmaceutical intermediates; API and its intermediates; heterocyclic compounds, customized pharmaceutical intermediates; chemical raw materials; pharmaceutical raw materials |
| EINECS | 805-642-2 |
| Melting point | 153-158°C |
| Boiling point | 715.0±60.0°C (Predicted) |
| Density | 1.34 |
| Storage conditions | -20°C |
| Solubility | Soluble in DMSO (at least 25 mg/ml) |
| Form | Solid |
| Acidity coefficient (pKa) | 4.09±0.30 (Predicted) |
| Color | White or off-white |
| Stability | Can be stored in solution in DMSO at -20°C for up to 3 months |
| Product Name | Ibrutinib |
| Skin Contact | Wash off immediately with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. |
| Eye Contact | Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do so. Continue rinsing. |
| Inhalation | Move person to fresh air and keep at rest in a position comfortable for breathing. |
| Ingestion | Do not induce vomiting. Seek medical attention immediately |
| Specific Hazards | Not combustible, but may be affected by strong oxidizing agents. |
| Personal Precautions | Wear protective clothing, gloves, and eye/face protection. |
| Reactivity with Water | Stable |
| Synthesis method | Using 4-phenoxybenzoic acid (1) as raw material, intermediate 5 is prepared through chlorination, condensation with malononitrile, methylation and cyclization with hydrazine hydrate. 5 is cyclized with formamide to obtain compound 6. 6 is subjected to Mitsunobu reaction and removal of Boc protecting group to obtain intermediate 8. Intermediate 8 is reacted with acryloyl chloride to obtain ibrutinib. |
| Use | Ibrutinib is a Bruton’s tyrosine kinase (BTK) inhibitor used to treat chronic lymphocytic leukemia (CLL) and mantle cell lymphoma (MCL) |
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Alexandra Thompson
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June 15, 2023
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June 15, 2023
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June 15, 2023
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June 15, 2023
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