ACP-5862 | CAS#2230757-47-6

MedKoo Cat#: 207127 | Name: ACP-5862

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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

Chemical Structure

ACP-5862

CAS#2230757-47-6

Theoretical Analysis

MedKoo Cat#: 207127

Name: ACP-5862

CAS#: 2230757-47-6

Chemical Formula: C26H23N7O3

Exact Mass: 481.1862

Molecular Weight: 481.52

Elemental Analysis: C, 64.85; H, 4.81; N, 20.36; O, 9.97

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

No Data

Synonym

ACP-5862; ACP 5862; ACP5862;

IUPAC/Chemical Name

4-(8-amino-3-(4-(but-2-ynamido)butanoyl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide

InChi Key

XZAATUBTUPPERZ-UHFFFAOYSA-N

InChi Code

XZAATUBTUPPERZ-UHFFFAOYSA-N

SMILES Code

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

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

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 Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 481.52 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Zhou D, Podoll T, Xu Y, Moorthy G, Vishwanathan K, Ware J, Slatter JG, Al- Huniti N. Evaluation of the Drug-Drug Interaction Potential of Acalabrutinib and Its Active Metabolite, ACP-5862, Using a Physiologically-Based Pharmacokinetic Modeling Approach. CPT Pharmacometrics Syst Pharmacol. 2019 Jul;8(7):489-499. doi: 10.1002/psp4.12408. Epub 2019 May 12. PMID: 31044521; PMCID: PMC6656940. 2: Edlund H, Lee SK, Andrew MA, Slatter JG, Aksenov S, Al-Huniti N. Population Pharmacokinetics of the BTK Inhibitor Acalabrutinib and its Active Metabolite in Healthy Volunteers and Patients with B-Cell Malignancies. Clin Pharmacokinet. 2019 May;58(5):659-672. doi: 10.1007/s40262-018-0725-7. PMID: 30556110. 3: Podoll T, Pearson PG, Evarts J, Ingallinera T, Bibikova E, Sun H, Gohdes M, Cardinal K, Sanghvi M, Slatter JG. Bioavailability, Biotransformation, and Excretion of the Covalent Bruton Tyrosine Kinase Inhibitor Acalabrutinib in Rats, Dogs, and Humans. Drug Metab Dispos. 2019 Feb;47(2):145-154. doi: 10.1124/dmd.118.084459. Epub 2018 Nov 15. PMID: 30442651.