Literature DB >> 31265286

Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases.

Pamela A Haile1, Linda N Casillas1, Bartholomew J Votta1, Gren Z Wang1, Adam K Charnley1, Xiaoyang Dong1, Michael J Bury1, Joseph J Romano1, John F Mehlmann1, Bryan W King1, Karl F Erhard1, Charles R Hanning1, David B Lipshutz1, Biva M Desai1, Carol A Capriotti1, Michelle C Schaeffer1, Scott B Berger1, Mukesh K Mahajan1, Michael A Reilly1, Rakesh Nagilla1, Elizabeth J Rivera1, Helen H Sun1, John K Kenna1, Allison M Beal1, Michael T Ouellette1, Mike Kelly2, Gillian Stemp2, Máire A Convery2, Anna Vossenkämper3, Thomas T MacDonald3, Peter J Gough1, John Bertin1, Robert W Marquis1.   

Abstract

RIP2 kinase has been identified as a key signal transduction partner in the NOD2 pathway contributing to a variety of human pathologies, including immune-mediated inflammatory diseases. Small-molecule inhibitors of RIP2 kinase or its signaling partners on the NOD2 pathway that are suitable for advancement into the clinic have yet to be described. Herein, we report our discovery and profile of the prodrug clinical compound, inhibitor 3, currently in phase 1 clinical studies. Compound 3 potently binds to RIP2 kinase with good kinase specificity and has excellent activity in blocking many proinflammatory cytokine responses in vivo and in human IBD explant samples. The highly favorable physicochemical and ADMET properties of 3 combined with high potency led to a predicted low oral dose in humans.

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Year:  2019        PMID: 31265286     DOI: 10.1021/acs.jmedchem.9b00575

Source DB:  PubMed          Journal:  J Med Chem        ISSN: 0022-2623            Impact factor:   7.446


  7 in total

1.  Immune Modulation of Allergic Asthma by Early Pharmacological Inhibition of RIP2.

Authors:  Madelyn H Miller; Michael G Shehat; Justine T Tigno-Aranjuez
Journal:  Immunohorizons       Date:  2020-12-18

2.  Receptor-interacting protein kinase 2 (RIPK2) and nucleotide-binding oligomerization domain (NOD) cell signaling inhibitors based on a 3,5-diphenyl-2-aminopyridine scaffold.

Authors:  Chalada Suebsuwong; Bing Dai; Daniel M Pinkas; Anantha Lakshmi Duddupudi; Li Li; Joshua C Bufton; Lisa Schlicher; Mads Gyrd-Hansen; Ming Hu; Alex N Bullock; Alexei Degterev; Gregory D Cuny
Journal:  Eur J Med Chem       Date:  2020-05-15       Impact factor: 6.514

Review 3.  Pathway paradigms revealed from the genetics of inflammatory bowel disease.

Authors:  Daniel B Graham; Ramnik J Xavier
Journal:  Nature       Date:  2020-02-26       Impact factor: 49.962

4.  Design of pyrido[2,3-d]pyrimidin-7-one inhibitors of receptor interacting protein kinase-2 (RIPK2) and nucleotide-binding oligomerization domain (NOD) cell signaling.

Authors:  Sameer Nikhar; Ioannis Siokas; Lisa Schlicher; Seungheon Lee; Mads Gyrd-Hansen; Alexei Degterev; Gregory D Cuny
Journal:  Eur J Med Chem       Date:  2021-02-03       Impact factor: 6.514

5.  Molecular Docking, Molecular Dynamics Simulations, and Free Energy Calculation Insights into the Binding Mechanism between VS-4718 and Focal Adhesion Kinase.

Authors:  Mingsong Shi; Tao Chen; Siping Wei; Chenyu Zhao; Xinyu Zhang; Xinghui Li; Xinyi Tang; Yan Liu; Zhuang Yang; Lijuan Chen
Journal:  ACS Omega       Date:  2022-08-31

Review 6.  RIPK protein kinase family: Atypical lives of typical kinases.

Authors:  Gregory D Cuny; Alexei Degterev
Journal:  Semin Cell Dev Biol       Date:  2020-07-27       Impact factor: 7.727

7.  DNA-Encoded Library Hit Confirmation: Bridging the Gap Between On-DNA and Off-DNA Chemistry.

Authors:  Bing Xia; G Joseph Franklin; Xiaojie Lu; Katie L Bedard; LaShadric C Grady; Jennifer D Summerfield; Eric X Shi; Bryan W King; Kenneth E Lind; Cynthia Chiu; Eleanor Watts; Vera Bodmer; Xiaopeng Bai; Lisa A Marcaurelle
Journal:  ACS Med Chem Lett       Date:  2021-06-03       Impact factor: 4.632

  7 in total

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