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N-piperidine Ibrutinib HCl

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N-piperidine Ibrutinib HCl
For small sizes, please check our retail website as below: www.invivochem.com
Size Price Stock
100mg$1250To Be Confirmed
200mg$1875To Be Confirmed
500mg$3165To Be Confirmed

Cat #: V39041 CAS #: 2231747-18-3 Purity ≥ 99%

Description: N-piperidine Ibrutinib HCl, the hydrochloride salt of N-piperidine Ibrutinib, is an intermediate used in the synthesis of BTK-targeted PROTACs such as SJF620 (DC50 of 7.9 nM for degrading BTK).

References: Buhimschi AD, et al. Targeting the C481S Ibrutinib-Resistance Mutation in Bruton's Tyrosine Kinase Using PROTAC-Mediated Degradation. Biochemistry. 2018 Jul 3;57(26):3564-3575.

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Molecular Weight (MW)422.91
Molecular FormulaC22H23ClN6O
CAS No.2231747-18-3
SMILES CodeNC1=C2C(N(C3CCNCC3)N=C2C4=CC=C(OC5=CC=CC=C5)C=C4)=NC=N1.[H]Cl
SynonymsN-piperidine Ibrutinib hydrochloride; N-piperidine Ibrutinib (hydrochloride); 2231747-18-3; 3-(4-phenoxyphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride; SCHEMBL21331506
ProtocolIn VitroN-piperidine Ibrutinib hydrochloride can be used as a BTK ligand in the synthesis of a series of PROTACs. SJF638, SJF678, and SJF608 are potent PROTAC BTK degraders with DC50s of 374, 162, and 8.3 nM, respectively.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Preparing Stock Solutions
Solvent volume to be added Mass (the weight of a compound)
Mother liquor concentration 1mg5mg10mg20mg
1mM2.3646 mL11.8228 mL23.6457 mL47.2914 mL
5mM0.4729 mL2.3646 mL4.7291 mL9.4583 mL
10mM0.2365 mL1.1823 mL2.3646 mL4.7291 mL
20mM0.1182 mL0.5911 mL1.1823 mL2.3646 mL
The molarity calculator equation
Mass(g) = Concentration(mol/L) × Volume(L) × Molecular Weight(g/mol)
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The dilution calculator equation
Concentration(start) × Volume(start) = Concentration(final) × Volume(final)

This equation is commonly abbreviated as: C1 V1 = C2 V2

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Step One: Enter information below
Dosage mg/kg Average weight of animals g Dosing volume per animal µL Number of animals
Step Two: Enter the in vivo formulation
%DMSO + % + %Tween 80 + %ddH2O

Calculation Results:
Working concentration: mg/ml;
Method for preparing DMSO master liquid: mg drug pre-dissolved in µL DMSO(Master liquid concentration mg/mL) ,Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation: Take µL DMSO master liquid, next add µL PEG300, mix and clarify, next add µL Tween 80,mix and clarify, next add µL ddH2O,mix and clarify.
Note:
  • (1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
  • (2) Be sure to add the solvent(s) in order.