1197953-54-0 | Brigatinib

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$8.00	$5.00
1g	98%	in stock	$60.00	$42.00
5g	98%	in stock	$190.00	$133.00
25g	98%	in stock	$666.00	$466.00

Description

• Catalog Number: AA33047
• Chemical Name: Brigatinib
• CAS Number: 1197953-54-0
• Molecular Formula: C29H39ClN7O2P
• Molecular Weight: 584.0924
• MDL Number: MFCD29472221
• SMILES: COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1P(=O)(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C

Computed Properties

• Complexity: 835
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 40
• Hydrogen Bond Acceptor Count: 9
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 8
• XLogP3: 4.6

Literature

• Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase.

  Journal of medicinal chemistry 20160526

• Therapeutic strategies to overcome crizotinib resistance in non-small cell lung cancers harboring the fusion oncogene EML4-ALK.

  Proceedings of the National Academy of Sciences of the United States of America 20110503