We support your early design work by investigating which compounds in your list of leads that can be accessed with a reasonable synthetic effort. Furthermore, we suggest one synthetic route for each of the accessible compounds. If desired, we rank these compounds according to level of resource required to synthesize them.
In case you face a current synthetic challenge or an unexpected problem which blocks further progress, we can support you in analyzing the root cause and designing a way to work around the problem.We have extensive experience in solving such challenges within drug process development and manufacture.
We generate a map of suggested possibilities to modify your core structure in different positions, giving you the synthetic options to expand it into new lead structures. We utilize the innovative cheminformatics tool ICSYNTH to identify diverse and unconventional options. Examples of analogies to the literature are provided for each suggestion, and experimental conditions are suggested for the most promising alternatives. This input will facilitate the transfer from the design process to the lab for your chemists, and will increase their synthesis success rate.
A map of possible synthetic routes to your target compound(s) is produced. We use ICSYNTH to generate novel route ideas as comprehensively as possible. We provide an overview of all suggested routes that we judge as relevant, and documentation on literature precedent for each synthetic step. Furthermore, different route options can be ranked on the basis of specific criteria (e.g., perceived environmental impact, starting material cost, etc).
We suggest a synthetic route to your target and have it evaluated experimentally by a European contract research organisation within our network. For successful routes, the amount of target compound produced is typically in the range of milligrams up to a few hundred milligrams. For information about scalability, test runs at larger scale can be performed. Key steps and key challenges in the suggested route are identified, and reference samples and analytical documentation are provided both for target and intermediates.
The amount of material that you need of a given target compound is prepared according to your specification. A synthetic route to your target which has been demonstrated to work on lab scale is used as starting point, and modified if necessary to match scale-up requirements.
At Chemnotia, we know the importance of being up to date on the latest developments in organic synthesis. For that reason, our courses and seminars are focused on keeping you at the frontline of science.
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In drug discovery, scaffold hopping is a fundamental and time consuming part of the development of new drugs. Transforming a library synthesis lead compound into a truly drug-like structure sometimes makes it necessary to redesign the core of the molecule, and synthesizing these new core structures can often be a challenge. To suggest a new molecule that might be the next candidate drug is usually not that problematic for a skilled medicinal chemist, but actually synthesizing the substance is often a challenge. With Chemnotia Synthetis Access you will get guidance to which of all your suggested compounds that can be synthesized with a reasonable effort. Furthermore, apply Chemnotia Synthesis Evaluation if you wish to have the synthesis tested in the lab.
In drug discovery, variations of the side-chains of a molecule if often needed to get a good series of leads. To ensure that you utilize all options to decorate your core, use Chemnotia Reactivity Map to identify also unconventional reactive sites. By preparing many new lead compounds in few steps from a single core, instead of via longer independent routes, you will save time and resource.
While developing and evaluating your libraries for lead identification you might find a need to get access to building blocks which cannot be bought. They could be close analogues to the building blocks you already have and they would fill ‘holes’ in your library. Before spending more time and resource trying to prepare these, let us help you find good syntheses with Chemnotia Route Map. You can get the feasibility of the suggested routes proven by applying Chemnotia Synthesis Evaluation. When you later on need more material we have Chemnotia Compound Sample to provide you with milligrams, grams or even kilograms.
You are faced by the fact that you need to explore alternative routes to your existing one. You might need a safer route, one that is more environmentally benign, a higher yielding one, one that has fewer steps, one from cheaper starting materials, you might need to circumvent a patent by a competitor, or simply make sure you have looked at all the alternatives. We know how tedious it can be to find routes that match these requirements. Get support identifying good opportunities with Chemnotia Route Map.
Occasionally, you might suddenly see a by-product being formed in an intolerably high amount. Maybe you changed the scale to a bigger reactor, maybe you have introduced a new source of starting material or solvents, or maybe you have used a new batch of a catalyst.
We help you to understand the chemistry causing formation of the by-product, enabling you to adjust reaction conditions to avoid its formation. Read more about Chemnotia Synthesis Understanding.
Your research project is progressing well, but you presently lack access to samples of a key molecule needed to conduct the next very interesting experiments. Use Chemnotia Route Map and Chemnotia Compound Sample to obtain the material you need.