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9

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Grant support

We are grateful for financial support provided by ICIQ and MCIN (FEDER/MCIN PID2021-123801NB-I00 & MCIN/AEI Severo Ochoa Excellence Accreditation 2002-2023, CEX2019-000925-S). C.O. thanks AEI for a predoctoral fellowship (PRE2019-089145). N.C.-B. sincerely thanks Universidad Nacional Abierta y a Distancia (UNAD) for a postdoctoral fellowship (PG 1301ECBTI2022), and R.T.M. is grateful to the NSERC CGS-D Scholarship and NSERC MSFSS of Canada. We also thank the ICIQ X-ray Diffraction, NMR, and Mass Spectrometry units.

Analysis of institutional authors

Odena, CarlotaAuthorSantiago, Tomas GAuthorMartin, RubenCorresponding Author

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August 11, 2024
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Late-Stage C(sp 2)-C(sp 3) Diversification via Nickel Oxidative Addition Complexes

Publicated to:Journal Of The American Chemical Society. 146 (31): 21264-21270 - 2024-07-25 146(31), DOI: 10.1021/jacs.4c08404

Authors: Odena, C; Santiago, TG; Linares, ML; Castellanos-Blanco, N; McGuire, RT; Chaves-Arquero, B; Alonso, JM; Diéguez-Vázquez, A; Tan, E; Alcázar, J; Buijnsters, P; Cañellas, S; Martin, R

Affiliations

Barcelona Inst Sci & Technol, Inst Chem Res Catalonia ICIQ, Tarragona 43007, Spain - Author
Janssen Cilag SA, Toledo 45007, Spain - Author
Janssen Pharmaceut Nv, B-2340 Beerse, Belgium - Author
Passeig Lluis Co, ICREA, Barcelona 08010, Spain - Author
Univ Rovira & Virgili, Dept Quim Organ, Tarragona 43007, Spain - Author
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Abstract

Herein, we describe nickel oxidative addition complexes (Ni-OACs) of drug-like molecules as a platform to rapidly generate lead candidates with enhanced C(sp(3)) fraction. The potential of Ni-OACs to access new chemical space has been assessed not only in C(sp(2))-C(sp(3)) couplings but also in additional bond formations without recourse to specialized ligands and with improved generality when compared to Ni-catalyzed reactions. The development of an automated diversification process further illustrates the robustness of Ni-OACs, thus offering a new gateway to expedite the design-make-test-analyze (DMTA) cycle in drug discovery.

Keywords

BromidesCoupling reactionsEfficientEsterHalidesHeterocyclesMechanisms

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal Journal Of The American Chemical Society due to its progression and the good impact it has achieved in recent years, according to the agency WoS (JCR), it has become a reference in its field. In the year of publication of the work, 2024 there are still no calculated indicators, but in 2023, it was in position 18/231, thus managing to position itself as a Q1 (Primer Cuartil), in the category Chemistry, Multidisciplinary. Notably, the journal is positioned above the 90th percentile.

Independientemente del impacto esperado determinado por el canal de difusión, es importante destacar el impacto real observado de la propia aportación.

Según las diferentes agencias de indexación, el número de citas acumuladas por esta publicación hasta la fecha 2025-08-03:

  • WoS: 4

Impact and social visibility

From the perspective of influence or social adoption, and based on metrics associated with mentions and interactions provided by agencies specializing in calculating the so-called "Alternative or Social Metrics," we can highlight as of 2025-08-03:

  • The use, from an academic perspective evidenced by the Altmetric agency indicator referring to aggregations made by the personal bibliographic manager Mendeley, gives us a total of: 12.
  • The use of this contribution in bookmarks, code forks, additions to favorite lists for recurrent reading, as well as general views, indicates that someone is using the publication as a basis for their current work. This may be a notable indicator of future more formal and academic citations. This claim is supported by the result of the "Capture" indicator, which yields a total of: 17 (PlumX).

With a more dissemination-oriented intent and targeting more general audiences, we can observe other more global scores such as:

  • The Total Score from Altmetric: 5.85.
  • The number of mentions on the social network X (formerly Twitter): 13 (Altmetric).

It is essential to present evidence supporting full alignment with institutional principles and guidelines on Open Science and the Conservation and Dissemination of Intellectual Heritage. A clear example of this is:

Leadership analysis of institutional authors

This work has been carried out with international collaboration, specifically with researchers from: Belgium.

There is a significant leadership presence as some of the institution’s authors appear as the first or last signer, detailed as follows: First Author (Odena, Carlota) and Last Author (Martin Romo, Rubén).

the author responsible for correspondence tasks has been Martin Romo, Rubén.