Account (S)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
- Catalog No. :
- ACAPSF694
- CAS No. :
- 936563-97-2
- Molecular Formula :
- C25H24N6O2
- Molecular Weight :
- 440.51
IUPAC Name:(S)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
![(S)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one structure diagram](/images/productimg/no-pic.svg)
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250mg97%$354.00Login to see priceInquiryInquiry
Products of AiFChem are all designed for scientific research only. Under no circumstances do we provide products or services for animal or personal utilization.
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Product Information
| Product Name | (S)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one |
|---|---|
| IUPAC Name | (S)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one |
| MDL No. | MFCD28385226 |
| Molecular Formula | C25H24N6O2 |
| Molecular Weight | 440.51 |
| SMILES | C=CC(N1C[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C5=C(N)N=CN=C52)CCC1)=O |
| InChI Key | XYFPWWZEPKGCCK-SFHVURJKSA-N |
| Synonym | (S)-Ibrutinib;Ibrutinib (S)-Isomer;(S)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one;Ibrutinib impurity 2/(S)-Ibrutinib/(S)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one;(S)-Ibrutinib-d5;1-[(3S)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;(S)-1-(3-(4-amino-3-(4-phenoxyphenyl);2-Propen-1-one, 1-[(3S)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]- |
| CAS No. | 936563-97-2 |
| PubChem CID | 24821023 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACAPSF694 Molecular Building Block Synthetic Route
(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
Ibrutinib Racemate
(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)ethan-1-one (Ibrutinib Impurity)