R-Acalabrutinib | CAS No. 1952316-43-6

R-Acalabrutinib

Basic Information

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CAS Number

1952316-43-6

Molecular Formula

C26H23N7O2

Molecular Weight

465.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.37±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (1.3E-3 g/L) (25 ºC),

SMILES

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CC#CC(=O)N1CCC[C@@H]1c1nc(c2n1ccnc2N)c1ccc(cc1)C(=O)Nc1ccccn1

InChI

InChI=1S/C2H6/c1-2/h1-2H3

InChIKey

OTMSDBZUPAUEDD-UHFFFAOYSA-N

LogP

1.0262

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Synonyms & References

English

R-Acalabrutinib
Acalabrutinib enantiomer
(R)-4-(8-amino-3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide

MDL Number

MFCD30530419

FAQ

What are the physical and chemical properties of R-Acalabrutinib (CAS: 1952316-43-6)?

R-Acalabrutinib is a crystalline compound with a molecular weight of approximately 467.37 g/mol. It has a low solubility in water but good solubility in organic solvents like DMSO. Chemically, it is highly reactive towards nucleophilic substitution reactions. It is typically used in pharmaceutical applications where its properties are advantageous.

How is R-Acalabrutinib (CAS: 1952316-43-6) typically synthesized?

R-Acalabrutinib is synthesized via a multi-step process involving the protection of a key functional group, followed by a nucleophilic substitution reaction. The synthesis often utilizes palladium catalysts and achieves a high yield. The reaction conditions are carefully optimized to ensure selectivity towards the desired product.

What industries use R-Acalabrutinib (CAS: 1952316-43-6)?

R-Acalabrutinib is primarily used in the pharmaceutical industry for the treatment of hematologic malignancies. It is also relevant in the development of new drug candidates for autoimmune diseases. Its use in other industries is limited due to its specific application in medicinal chemistry.

What precautions should be taken when handling R-Acalabrutinib (CAS: 1952316-43-6)?

When handling R-Acalabrutinib, appropriate personal protective equipment (PPE) should be worn, including gloves and safety goggles. It should be handled in a well-ventilated area or under a fume hood. In case of a spill, it should be carefully cleaned up using appropriate absorbents, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.