Name: Name:Pf-3758309
Brand: AABLOCKS
SKU: AA00GU2N
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00GU2N

Chemical Name: Pf-3758309

CAS Number: 898044-15-0

Molecular Formula: C25H30N8OS

Molecular Weight: 490.6237

MDL Number: MFCD18633226

SMILES: CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)nc2c1scc2)C

Properties

Complexity: 747

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 1

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 35

Hydrogen Bond Acceptor Count: 7

Hydrogen Bond Donor Count: 3

Isotope Atom Count: 0

Rotatable Bond Count: 6

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.1

Literature fold

Title: Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.

Journal: ACS medicinal chemistry letters20150709

Title: Back pocket flexibility provides group II p21-activated kinase (PAK) selectivity for type I 1/2 kinase inhibitors.

Journal: Journal of medicinal chemistry20140213

Title: Small-molecule p21-activated kinase inhibitor PF-3758309 is a potent inhibitor of oncogenic signaling and tumor growth.

Journal: Proceedings of the National Academy of Sciences of the United States of America20100518

Title: Murray, Brion W., et al. Small-molecule p21-activated kinase inhibitor PF3758309 is a potent inhibitor of oncogenic signaling and tumor growth. Proceedings of the National Academy of Sciences of the United States of America (2010), 107(20), 9446-9451, S94

Title: Zhao ZS, et al. Do PAKs make good drug targets? F1000 Biol Rep. 2010 Sep 23;2:70.

Title: Ryu BJ, et al. PF-3758309, p21-activated kinase 4 inhibitor, suppresses migration and invasion of A549 human lung cancer cells via regulation of CREB, NF-κB, and β-catenin signalings. Mol Cell Biochem. 2014 Apr;389(1-2):69-77.

Title: Pitts TM, et al. Association of the epithelial-to-mesenchymal transition phenotype with responsiveness to the p21-activated kinase inhibitor, PF-3758309, in colon cancer models. Front Pharmacol. 2013 Mar 28;4:35.

898044-15-0 | Pf-3758309