N-piperidine Ibrutinib

Name: N-piperidine Ibrutinib
Brand: BOC Sciences
Rating: 5 (1 reviews)

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.

Structure of 330785-90-5

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Category

Warhead Library

Molecular Formula

C22H22N6O

Molecular Weight

386.45

Related CAS

<a href="/product/n-piperidine-ibrutinib-hydrochloride-cas-2231747-18-3-380243.html">2231747-18-3</a> (monohydrochloride)

* 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)

SMILES

C1CNCCC1N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

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* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C₁V₁ = C₂V₂