3-(2-Pyridylcarbamoyl)benzeneboronic acid

Base Information

• Chemical Name: 3-(2-Pyridylcarbamoyl)benzeneboronic acid
• CAS No.: 874459-98-0
• Molecular Formula: C12H11BN2O3
• Molecular Weight: 242.04
• Mol file: 874459-98-0.mol

Synonyms:3-(2-Pyridylcarbamoyl)benzeneboronic acid;874459-98-0;(3-(pyridin-2-ylcarbamoyl)phenyl)boronic acid;[3-(pyridin-2-ylcarbamoyl)phenyl]boronic acid;MFCD28167454;3-(2-Pyridylcarbamoyl)benzeneboronicacid;H11822;{3-[(pyridin-2-yl)carbamoyl]phenyl}boronic acid

Chemical Property of 3-(2-Pyridylcarbamoyl)benzeneboronic acid

Chemical Property:

• PKA: 7.87±0.10(Predicted)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 242.0862724
• Heavy Atom Count: 18
• Complexity: 289

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)C(=O)NC2=CC=CC=N2)(O)O
• Uses: [3-[(2-pyridinylamino)carbonyl]phenyl]boronic Acid is an impurity of Acalabrutinib (A115605), is an experimental anti-cancer drug and a selective Bruton''s tyrosine kinase (BTK) inhibitor. This kinase transmits signals from B-cell Receptor (BCR), and thus any genetic BTK mutation causes B-Cell immunodeficiency. Therefore, BTK inhibitors targeting B-cell signaling has shown great promise for the treatment of chronic lymphocytic leukemia (CLL).