1. Metabolic Enzyme/Protease
    Protein Tyrosine Kinase/RTK
  2. Drug Metabolite
    Btk
    Cytochrome P450
  3. ACP-5862

ACP-5862 

Cat. No.: HY-135334 Purity: 98.09%
Handling Instructions

ACP-5862 is a major active, circulating, pyrrolidine ring-opened metabolite of Acalabrutinib with an IC50 of 5.0 nM for Bruton tyrosine kinase (BTK). ACP‐5862 is a weak time‐dependent inactivator of CYP3A4 and CYP2C8. Acalabrutinib is an orally active, irreversible, and highly selective BTK inhibitor, with an IC50 of 3 nM and EC50 of 8 nM.

For research use only. We do not sell to patients.

ACP-5862 Chemical Structure

ACP-5862 Chemical Structure

CAS No. : 2230757-47-6

Size Price Stock Quantity
10 mM * 1  mL in DMSO USD 689 In-stock
Estimated Time of Arrival: December 31
1 mg USD 300 In-stock
Estimated Time of Arrival: December 31
5 mg USD 650 In-stock
Estimated Time of Arrival: December 31
10 mg USD 950 In-stock
Estimated Time of Arrival: December 31
50 mg USD 2800 In-stock
Estimated Time of Arrival: December 31
100 mg   Get quote  
200 mg   Get quote  

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Based on 1 publication(s) in Google Scholar

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Description

ACP-5862 is a major active, circulating, pyrrolidine ring-opened metabolite of Acalabrutinib with an IC50 of 5.0 nM for Bruton tyrosine kinase (BTK). ACP‐5862 is a weak time‐dependent inactivator of CYP3A4 and CYP2C8. Acalabrutinib is an orally active, irreversible, and highly selective BTK inhibitor, with an IC50 of 3 nM and EC50 of 8 nM[1][2].

IC50 & Target[2]

CYP2C8

 

CYP3A4

 

In Vivo

Following a single oral dose of 100 mg Acalabrutinib, the half‐life of ACP‐5862 is 6.9 hours and the mean exposure is approximately twofold to threefold higher than that of Acalabrutinib[2].
ACP-5862 (M27) is the major single metabolite in the systemic circulation and accountes for 57.4% and 42.1% of the AUC0-t total radioactivity in male and female rat plasma, respectively. ACP-5862, the major human metabolite, is a relatively minor component in the systemic circulation and accountes for 6.1% and 8.1% of the AUC0-t total radioactivity in male and female dog plasma, respectively[1].
ACP-5862 (1 or 10 μM) has reversible protein binding of 98.6%, 99.8%, 94.3%, 98.6% in mouse, rat, dog, and human plasma[1].

Molecular Weight

481.51

Formula

C₂₆H₂₃N₇O₃

CAS No.

2230757-47-6

SMILES

O=C(NC1=NC=CC=C1)C2=CC=C(C3=C4C(N)=NC=CN4C(C(CCCNC(C#CC)=O)=O)=N3)C=C2

Shipping

Room temperature in continental US; may vary elsewhere.

Storage
Powder -20°C 3 years
  4°C 2 years
In solvent -80°C 6 months
  -20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 250 mg/mL (519.20 mM; Need ultrasonic)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 2.0768 mL 10.3840 mL 20.7680 mL
5 mM 0.4154 mL 2.0768 mL 4.1536 mL
10 mM 0.2077 mL 1.0384 mL 2.0768 mL
*Please refer to the solubility information to select the appropriate solvent.
In Vivo:
  • 1.

    Add each solvent one by one:  10% DMSO    40% PEG300    5% Tween-80    45% saline

    Solubility: ≥ 2.08 mg/mL (4.32 mM); Clear solution

*All of the co-solvents are provided by MCE.
References
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Keywords:

ACP-5862ACP5862ACP 5862Drug MetaboliteBtkCytochrome P450Bruton tyrosine kinaseCYPscirculatingpyrrolidinering-openedmetaboliteacalabrutinibBrutontyrosinekinaseBTKInhibitorinhibitorinhibit

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Product Name:
ACP-5862
Cat. No.:
HY-135334
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