Account Ibrutinib-biotin
- Catalog No. :
- ACDTCB601
- CAS No. :
- 1599432-18-4
- Molecular Formula :
- C56H80N12O9S
- Molecular Weight :
- 1097.40
IUPAC Name:N1-(4-(((E)-4-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-4-oxobut-2-en-1-yl)(methyl)amino)butyl)-N5-(15-oxo-19-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-4,7,10-trioxa-14-azanonadecyl)glutaramide
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Product Information
| Product Name | Ibrutinib-biotin |
|---|---|
| IUPAC Name | N1-(4-(((E)-4-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-4-oxobut-2-en-1-yl)(methyl)amino)butyl)-N5-(15-oxo-19-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-4,7,10-trioxa-14-azanonadecyl)glutaramide |
| Molecular Formula | C56H80N12O9S |
| Molecular Weight | 1097.40 |
| SMILES | O=C(NCCCCN(C/C=C/C(N1C[C@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C5=C(N)N=CN=C52)CCC1)=O)C)CCCC(NCCCOCCOCCOCCCNC(CCCC[C@@H]6SC[C@]([C@]6([H])N7)([H])NC7=O)=O)=O |
| InChI Key | MZBZKVGVMZPBPH-AQXPWDSUSA-N |
| Synonym | Ibrutinib-biotin;Ibrutinib-biotin-1;Reaxys ID: 26833452;Pentanediamide, N1-[4-[[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-4-oxo-2-buten-1-yl]methylamino]butyl]-N5-[19-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-15-oxo-4,7,10-trioxa-14-azanonadec-1-yl]-;N1-(4-(((E)-4-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-4-oxobut-2-en-1-yl)(methyl)amino)butyl)-N5-(15-oxo-19-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-4,7,10-trioxa-14-azanonadecyl)glutaramide;N1-(4-(((E)-4-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-4-oxobut-2-en-1-yl)(methyl)amino)butyl)-N5-(15-oxo-19-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]im |
| CAS No. | 1599432-18-4 |
