research use only

Acalabrutinib (ACP-196) BTK inhibitor

Name: Acalabrutinib (ACP-196)
Brand: Selleck Chemicals
SKU: S8116
Rating: 5 (50 reviews)

Cat.No.S8116

Acalabrutinib (ACP-196) is a selective second-generation Bruton's tyrosine kinase (BTK) inhibitor with an IC50 of 3 nM, which prevents the activation of the B-cell antigen receptor (BCR) signalling pathway. This compound has improved target specificity with 323-, 94-, 19- and 9-fold selectivity over the other TEC kinase family members (ITK, TXK, BMX, and TEC, respectively) and no activity against EGFR.

Chemical Structure

Molecular Weight: 465.51

Jump to

Quality Control

Batch: Purity: 99.89%

99.89

Related Targets	EGFR VEGFR JAK PDGFR FGFR Src HIF FLT FLT3 HER2
Other BTK Inhibitors	Catadegbrutinib (BGB-16673) Spebrutinib (AVL-292) tirabrutinib(ONO-4059) hydrochloride CGI1746 LFM-A13 CNX-774 Evobrutinib BMS-935177 Fenebrutinib (GDC-0853) Branebrutinib (BMS-986195)

Cell Culture, Treatment & Working Concentration

Cell Lines	Assay Type	Concentration	Incubation Time	Activity Description	PMID
CLL cells	Apoptosis assay	1 μM or 3 μM	24, 48 and 72 h	increases in apoptosis rates in primary CLL cells at 24, 48, and 72 hours of treatment	28034907
B cells	Function assay		1 hr	Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr followed by IgM stimulation for 18 hrs by FACS analysis, IC50 = 0.198 μM.	29457982
Click to View More Cell Line Experimental Data

Chemical Information, Storage & Stability

Molecular Weight	465.51	Formula	C₂₆H₂₃N₇O₂	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	1420477-60-6	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	N/A			Smiles	CC#CC(=O)N1CCCC1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5

Solubility

In vitro
Batch:

DMSO : 93 mg/mL (199.78 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 60 mg/mL

Water : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
=	×	×

Dilution Calculator Molecular Weight Calculator

In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Clear solution	2% DMSO 1 30% PEG 300 2 2%Tween80 3 66%ddH2O Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	1.500mg/ml (3.22mM)	Taking the 1 mL working solution as an example, add 20 μL of 75 mg/ml clarified DMSO stock solution to 300 μL of PEG300, mix evenly to clarify it; add 20 μL of Tween80 to the above system, mix evenly to clarify; then continue to add 660 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg Average weight of animals: g Dosing volume per animal:μL Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO + % + % Tween 80 + % ddH₂O

%DMSO+ %

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 addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such as vortex, ultrasound or hot water bath can be used to aid dissolving.

Mechanism of Action

Targets/IC₅₀/Ki	BTK (in a human whole-blood CD69 B cell activation assay) 3nM
In vitro	In the in vitro signalling assay on primary human CLL cells, Acalabrutinib (ACP-196) inhibits tyrosine phosphorylation of downstream targets of ERK, IKB, and AKT. It demonstrates higher selectivity for BTK with IC50 determinations on nine kinases with a cysteine residue in the same position as BTK. This compound has no effect on EGFR phosphorylation on tyrosine residues Y1068 and Y1173.
In vivo	A similar model is used to compare the duration of Btk inhibition after a single oral dose of 25 mg/kg of Acalabrutinib (ACP-196), which inhibits CD86 expression >90% at 3h postdose.
References	[1] https://pubmed.ncbi.nlm.nih.gov/26957112/ [2] http://cancerres.aacrjournals.org/content/74/19_Supplement/1744 [3] http://cancerres.aacrjournals.org/content/75/15_Supplement/2596

Applications

Methods	Biomarkers	Images	PMID
Western blot	pBTK / BTK / pAKT / AKT / pERK / ERK / pS6 / S6		28034907

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT05951959	Recruiting	Mantle Cell Lymphoma (MCL)	AstraZeneca	December 13 2023	Phase 2
NCT06170671	Recruiting	Chronic Lymphocytic Leukemia	AstraZeneca	December 13 2023	--
NCT06205498	Recruiting	Chronic Lymphocytic Leukemia	AstraZeneca\|Yghea	August 8 2023	--
NCT05999877	Active not recruiting	Chronic Lymphocytic Leukemia	AstraZeneca	July 11 2023	--
NCT05820841	Recruiting	Large B-cell Lymphoma\|Diffuse Large B Cell Lymphoma	Universität des Saarlandes\|University of Leipzig\|University Hospital Regensburg\|Wuerzburg University Hospital\|University Hospital of Gießen and Marburg\|Saarland University Medical Center\|AstraZeneca	June 7 2023	Phase 3

Tech Support

Handling Instructions

Tel: +1-832-582-8158 Ext:3

If you have any other enquiries, please leave a message.

C1=C0/X	C1:	LOG(C1):
C2=C1/X	C2:	LOG(C2):
C3=C2/X	C3:	LOG(C3):
C4=C3/X	C4:	LOG(C4):
C5=C4/X	C5:	LOG(C5):
C6=C5/X	C6:	LOG(C6):
C7=C6/X	C7:	LOG(C7):
C8=C7/X	C8:	LOG(C8):