Late Stage Functionalization of Pyrazole Scaffolds

hace 3 semanas

Bilbao, España University of the Basque Country A tiempo completo

**Late Stage Functionalization of Pyrazole Scaffolds for the Synthesis of Lead-Like Building Blocks**:

- Réf
- **ABG-114836**
- Sujet de Thèse- 30/05/2023- Contrat doctoral- University of the Basque Country- Lieu de travail- Donostia-San Sebastián - Espagne- Intitulé du sujet- Late Stage Functionalization of Pyrazole Scaffolds for the Synthesis of Lead-Like Building Blocks- Champs scientifiques- Chimie
- Mots clés- Organic Chemistry**Description du sujet**:
In contrast to nucleophilicity and electrophilicity, radical-philicity and radicalicity are much less developed concepts, especially from the theoretical/computational point of view. Computational studies will be carried out on N-heterocycles to understand the intrinsic propensity of the selected substrates to form radicals in different positions, and the effect that the introduction of substituents has in the radical formation. These investigations will inform subsequent experimental studies to identify reactions that will produce products that are within lead-like chemical space.

This PhD program will consist of an 18 month period of research in academia, located in UPV/EHU (ES), and 18 months in industry, located in Astrazenca (Sweden).

The offered position will be available to start September-November 2023 with a duration of 3 years.

**Prise de fonction**:

- 01/10/2023**Nature du financement**:

- Contrat doctoral**Précisions sur le financement**:

- This project has received funding from the European Union's Horizon Europe research and innovation programme under the Marie Skldowska-Curie grant agreement number 101069949.**Présentation établissement et labo d'accueil**:

- University of the Basque Country**University of the Basque Country**

The University of the Basque Country is a vibrant 40-year-old institution with 45,000 students, 5,000 world-class academic staff and state-of-the-art facilities. The Sustainable Catalysis: Methods and Computation group at the Department of Organic Chemistry I that Prof. Enrique Gómez Bengoa leads combines Experimental and Computational Chemistry by studying the mechanisms of organometallic and organocatalytic reactions. The group has over 20 years experience in supervising and training undergraduate and graduate students and has successfully set up a number of fruitful collaborations in combined experimental/theoretical chemistry accross Europe.

**AstraZeneca**

AstraZeneca is a Anglo-Swedish multinational pharmaceutical company with 83500 employees (2023) that spans the entire value chain from discovery, early
- and late-stage development to manufacturing and distribution, including global commercialisation of primary care, specialty care-led and specialty care medicines that transform lives. The AZ R&D site at Gothenburg, Sweden is one of the three largest R&D sites at AZ hosting ca 3000 employees. The site has extensive, world-class experimental facilities for synthetic, medicinal and computational chemistry. Additionally, the chemistry departments house state-of-the-art library production as well as high throughput experimentation and are supported by comprehensive analytical facilities and expertise. Dr Werngard Czechtizky is Head of Medicinal Chemistry for Respiratory and Immunology. Her department has successfully hosted >30 MSc/PhD students and postdocs.

**Site web**:
**Etablissement délivrant le doctorat**:

- University of the Basque Country-
- 15/06/2023

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