阿卡拉布替尼

Description

Acalabrutinib · CAS 1420477-60-6 · C26H23N7O2. UNII I42748ELQW. LogP: 0.49.

Identification

CAS Registry Number	1420477-60-6
PubChem CID	71226662
Molecular formula	C26H23N7O2
IUPAC name	4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
UNII (FDA)	I42748ELQW

Computed Descriptors

Molecular Weight	465.5
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	465.19132300
Monoisotopic Mass	465.19132300
Topological Polar Surface Area	119
Heavy Atom Count	35
Formal Charge	0

Physical & Chemical Properties

LogP	0.49

Physical description & handling notes

• Freely soluble in water at pH values below 3 but is practically insoluble in water at pH values above 6
• Acalabrutinib is a Bruton Tyrosine Kinase inhibitor that prevents the proliferation, trafficking, chemotaxis, and adhesion of B cells. It is taken every 12 hours and can cause other effects such as atrial fibrillation, other malignancies, cytopenia, hemorrhage, and infection.

Regulatory Status

GHS notification summary	33.3% (1 / 3)

GHS Hazard Classification

GHS notification summary	33.3% (1 / 3)
Reported hazard statements	H373 (66.7%)

Documented Uses

• Acalabrutinib is indicated for: - The treatment of adult patients with Mantle Cell Lymphoma (MCL) who have received at least one prior therapy. - The treatment of adult patients with chronic lymphocytic leukemia and small lymphocytic lymphoma. - In combination with [rituximab] and [bendamustine] for the treatment of adult patients with previously untreated mantle cell lymphoma (MCL) who are ineligible for autologous hematopoietic stem cell transplantation (HSCT).
• Acalabrutinib is an oral inhibitor of Bruton’s tyrosine kinase that is used in the therapy of B cell malignancies including refractory mantle cell lymphoma and chronic lymphocytic leukemia. Acalabrutinib has been associated with mild-to-moderate serum enzyme elevations during therapy but has not been linked to instances of idiosyncratic acute liver injury, although it has been associated with cases of reactivation of hepatitis B which can be severe and even fatal.
• Breast Feeding; Lactation; Antineoplastic Agents; Enzyme Inhibitors; Protein Kinase Inhibitors; Signal Transduction Inhibitors; Tyrosine Kinase Inhibitors;
• Acalabrutinib Maleate Monohydrate
• Acalabrutinib maleate monohydrate is approved to treat adults with:
• • Chronic lymphocytic leukemia or small lymphocytic lymphoma.

Synonyms

Acalabrutinib; 1420477-60-6; ACP-196; acalabrutinibum; 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide; I42748ELQW; CHEBI:167707; DTXSID401026209; 4-[8-Amino-3-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinylbenzamide; 4-{8-amino-3-[(2S)-1-(but-2-ynoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl}-N-(pyridin-2-yl)benzamide; 4-(8-Amino-3-((2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl)imidazo(1,5-a)pyrazin-1-yl)-N-2-pyridinylbenzamide; 4-(8-amino-3-((2S)-1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo(1,5-a)pyrazin-1-yl)-N-(pyridin-2-yl)benzamide; 4-(8-amino-3-((2S)-1-but-2-ynoylpyrrolidin-2-yl)imidazo(1,5-a)pyrazin-1-yl)-N-pyridin-2-ylbenzamide; RefChem:57414; L01XE51; DTXCID401510462

Frequently Asked Questions

What are the CAS number and molecular formula of Acalabrutinib?

CAS 1420477-60-6; molecular formula C26H23N7O2; molecular weight — g/mol.

What other names is Acalabrutinib known by?

Acalabrutinib, 1420477-60-6, ACP-196, acalabrutinibum, 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide, I42748ELQW.

Is Acalabrutinib classified as hazardous?

33.3% of GHS notifications report no hazard classification (1 of 3).

What are the key physical properties of Acalabrutinib?

LogP: 0.49.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.