N-piperidine Ibrutinib

 CAS No.: 330785-90-5  Cat No.: BPL-100011  Purity: ≥95% 4.5  

N-piperidine Ibrutinib, a reversible Ibrutinib derivative, acts as a potent BTK inhibitor with IC50s of 51.0 nM for WT BTK and 30.7 nM for C481S BTK. It serves as a BTK ligand in the synthesis of PROTACs, such as SJF620. SJF620 is a potent PROTAC BTK degrader with a DC50 of 7.9 nM.

N-piperidine Ibrutinib

Structure of 330785-90-5

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Molecular Formula
C22H22N6O
Molecular Weight
386.45

* For research and manufacturing use only. Not for human or clinical use.

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Purity
≥95%
Storage
Store at -20°C
IUPACName
3-(4-phenoxyphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
Synonyms
BTK ligand 1; 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)-1-(4-piperidinyl)-; 3-(4-Phenoxyphenyl)-1-(4-piperidinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Boiling Point
626.3±55.0°C at 760 mmHg
Density
1.39±0.1 g/cm3
InChI Key
LGWZZMCTBPCKHR-UHFFFAOYSA-N
InChI
InChI=1S/C22H22N6O/c23-21-19-20(15-6-8-18(9-7-15)29-17-4-2-1-3-5-17)27-28(22(19)26-14-25-21)16-10-12-24-13-11-16/h1-9,14,16,24H,10-13H2,(H2,23,25,26)
Canonical SMILES
C1CNCCC1N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

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It is commonly abbreviated as: C1V1 = C2V2

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Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
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Historical Records: GNF5-amido-Me | Afimoxifene | dBRD9 | dBET6 | 3,6,9,12,15,18,21,24,27,30-Decaoxatritriacont-32-yn-1-ol | CMP 98 | SirReal1-O-propargyl | TL 12-186 | UV Cleavable Biotin-PEG2-Azide | Guanosine 5'-diphosphate | N-piperidine Ibrutinib

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