Retrosynthesis report for the 10 best-ranked routes for IM-204

Exported output data from the CAR tools from IM-204 target compound.Grant abstractSafe-and green-by-design are pre-market design approaches whereby the objectives of minimizing the use of hazardous chemicals, reducing greenhouse gas emissions, and fostering the reuse and recycling of materials in a circular economy are built into product design. SUSPHARMA fits the European need for sustainable development in modern industry and will develop during the action greener routes to prepare molecules, such as therapeutics and diagnostics. The breakthrough innovation will involve: - use of renewable (bio-based) carbon for the building block of scaffolds and motifs for drug synthesis; - cleaner synthetic methodologies for C-X bond formation (that is, C-H functionalization to obtain C-C, C-F, and C-I bond formation); - development of new benchtop continuous purification methods, to remove impurity and recycle synthetic solvents; - integration of digitalization methods. - LCA and TEA assessment for sensibly reducing the impact of pharmaceutical production. The project will thus benefit from an interdisciplinary domain, involving: - recent advances in biomass conversion for drug synthesis; - new developments in heterogeneous catalysis; - cutting-edge flow chemistry technologies (including synthesis and purification); - automation and machine learning. To address the challenge of green and digital transition and proper supply of health technologies and products, SUSPHARMA will focus on research and innovation activities that aim at integrating five breakthrough concepts: CAT-to-PHARMA, WASTE-to-PHARMA, FLOW-to-PHARMA, PUR-to-PHARMA, and DIGITAL to PHARMA. This will deliver results that are directed to pharmaceutical industries, researchers, and innovators, prompting them to develop and produce greener pharmaceuticals that are either greener by design, intrinsically less harmful for the environment, or use greener and economically more sustainable manufacturing processes and technologies.

IM-204靶标化合物CAR工具导出的输出数据。‘安全与绿色设计’是一种市场前设计方法，其核心在于将最小化有害化学物质的使用、降低温室气体排放以及促进材料在循环经济中的再利用和回收融入产品设计理念。SUSPHARMA契合了欧洲在现代工业中可持续发展的需求，并将在行动中开发出制备分子（如治疗和诊断制剂）的更绿色途径。这一突破性创新将涉及以下方面：
- 利用可再生（生物基）碳作为药物合成支架和模式的构建单元；
- 采用更清洁的合成方法进行C-X键形成（即C-H官能化以获得C-C、C-F和C-I键形成）；
- 开发新的台式连续纯化方法，以去除杂质并回收合成溶剂；
- 数字化方法的集成。
- 通过生命周期评估（LCA）和环境影响评估（TEA）合理减少制药生产的影响。项目将受益于跨学科领域的综合，包括：
- 药物合成领域生物质转化技术的最新进展；
- 非均相催化领域的新发展；
- 流动化学技术的尖端技术（包括合成和纯化）；
- 自动化和机器学习。
为了应对绿色和数字化转型挑战，以及健康技术和产品的适当供应，SUSPHARMA将聚焦于旨在整合五个突破性概念的研究和创新活动：从CAT到PHARMA、从WASTE到PHARMA、从FLOW到PHARMA、从PUR到PHARMA，以及从DIGITAL到PHARMA。这将产生针对制药工业、研究人员和创新者的结果，激励他们开发和生产更加绿色环保的药物，这些药物要么在设计上更加绿色，要么本质上是更少对环境有害，或者采用更加绿色且经济上更具可持续性的制造工艺和技术。