ACP-196 free base · Synonyms: Acalabrutinib

Acalabrutinib is an orally active, irreversible, and highly selective second-generation BTK inhibitor.

For research use only. Not for human or veterinary use.

Target Btk

Research area Infection Inflammation/Immunology Cancer

Purity >98% Stock Inquire

Data Sheet SDS COA

ACP-196 structure

CAS No.: 1420477-60-6

Download structure (.mol)

Pack sizes & pricing

Size	Price	SKU	Stock
500 mg	USD 480.00	BP-02484-500mg	In stock	Get quote
1 g	USD 760.00	BP-02484-1g	In stock	Get quote
2 g	USD 1,220.00	BP-02484-2g	In stock	Get quote
3 g	USD 1,470.00	BP-02484-3g	In stock	Get quote
5 g	USD 1,960.00	BP-02484-5g	In stock	Get quote
10 g	USD 3,130.00	BP-02484-10g	In stock	Get quote

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Description

Acalabrutinib (ACP-196) is an orally active, irreversible, and highly selective second-generation BTK inhibitor. Acalabrutinib binds covalently to Cys481 in the ATP-binding pocket of BTK. Acalabrutinib demonstrates potent on-target effects and efficacy in mouse models of chronic lymphocytic leukemia (CLL). Acalabrutinib can be used for CLL research . Acalabrutinib is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

Biological activity

In Vitro Acalabrutinib (ACP-196) inhibits tyrosine phosphorylation of downstream targets of ERK, IKB, and AKT, in the in vitro signaling assay on primary human CLL cells. In the human CLL NSG xenograft model, Acalabrutinib demonstrates on-target effects including decreased phosphorylation of PLCγ2, ERK and significant inhibition of CLL cell proliferation. Acalabrutinib inhibits purified BTK with an IC50 of 3 nM and an EC50 of 8 nM in a human whole-blood CD69 B cell activation assay. Acalabrutinib has improved target specificity over ibrutinib 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. In Vivo Acalabrutinib (100 mg twice per day) assessed for thrombus formation at injured arterioles of the mice, exhibits more selective for inhibiting BTK and has virtually no inhibition of platelet activity.

Identifiers

SMILES: CC#CC(=O)N1CCC[C@H]1C1=NC(=C2N1C=CN=C2N)C1=CC=C(C=C1)C(=O)NC1=NC=CC=C1
InChIKey: WDENQIQQYWYTPO-IBGZPJMESA-N

Specifications

MW (average): 465.5065
Formula: C₂₆H₂₃N₇O₂
CAS No.: 1420477-60-6
Physical state: Other
Color: Off-white to light brown
Shipping: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage: Powder -20℃ 2 years; In solvent -20℃ 1 month;

Solubility

Soluble in DMSO

Documents

References

[1]. Wu J, et al. Acalabrutinib (ACP-196): a selective second-generation BTK inhibitor. J Hematol Oncol. 2016 Mar 9;9:21

[2]. Herman SE, et al. The Bruton's tyrosine kinase (BTK) inhibitor acalabrutinib demonstrates potent on-target effects and efficacy in two mouse models of chronic lymphocytic leukemia. Clin Cancer Res. 2016 Nov 30

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