News and Events

1,3-Diazo-heterocycles are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research. To browse the set please use the link.

Dear friends and colleagues! 
Join ChemSpace Webinar «chem-space.com: an overview», which will take place at 5:00 PM (CET) on November, 5. 
During the webinar we will focus on such topics as:  How does chem-space.com works? What are the major website functions? ...
 

At Chemspace, our goal is to provide our customers with the largest and most comprehensive chemical space.
Today, we present OpenDEL®. It is a self-serve product, originally released by HitGen in 2015, aimed at simplifying access to DNA encoded libraries (DELs) technology. Since then OpenDEL® has evolved into 2 subsets: small molecule DELs and macrocyclic DELs with a total size of over 40 billion diverse molecules.
Ordering OpenDEL®, you will receive access to compounds and services to decode hits.

Please click here for more information or contact us at [email protected] for more details.

OpenDEL® - Billions in a Vial!

This August, a group of researchers published an article 'Using sulfuramidimidoyl fluorides (SAFs) that undergo sulfur(vi) fluoride exchange for inverse drug discovery', that describes the study of a class of weak electrophiles SAFs, which undergo sulfur(vi) fluoride exchange chemistry. It is shown that binding of a SAF to a protein allows nucleophilic attack by a specific amino acid side chain, leading to conjugate formation.

Dear friends and colleagues!

We would like to invite you to join Chemspace Webinar 'DNA-Encoded Chemical Library at HitGen: Principle, Practice and Application', which will take place at 2:00 PM (CET) tomorrow.

This webinar covers the principle, practice and application of DNA-encoded library technology with proven successes in the selection of various target classes. 

Register for the webinar now!

1H-pyrazole terminal acetylenes are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research. To browse the set please use the link.

In August 2020, the article 'Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases' (https://bit.ly/2SGbPxi) describing the discovery of an ATP-competitive pyrazolopyrazinyl series of TYK2 inhibitors was published. Lead optimization of the set of compounds through structure-based design, led to the identification of the clinical candidate PF-06826647, which binds to the catalytically active JH1 kinase domain. Now this drug candidate is in clinical development (Ph.II) for the treatment of some autoimmune diseases. PF-06826647 contains cyclobutane dinitrile moiety in its backbone. We have made a set of compounds, which contain such part – the perfect start for your research! https://bit.ly/36NG65x

This August, Nifurtimox (LAMPIT) received approval by the FDA for the treatment of Chagas disease (CD) in certain pediatric patients. CD, caused by a parasite known as Trypanosoma cruzi, is a vector-transmitted disease affecting animals and humans in the Americas.
Nifurtimox is a nitrofuran derivative with antiprotozoal and potential antineoplastic activities, which is reduced by cytosol enzymes or flavin-containing microsomal enzymes to a highly reactive nitro anion free radical. It contains 1λ⁶-thiomorpholine-1,1-dione moiety in its backbone.
We have made a set of Building Blocks, which contain such part – the perfect start for your research!

Meet Chemspace Monthly Digest! 

Here is a summary of all Chemspace news and highlights for September in case you have missed them.
 

Dear friends and colleagues!

We would like to invite you to join Chemspace Webinar 'DNA-Encoded Chemical Library at HitGen: Principle, Practice and Application', which will take place at 2:00 PM (CET) on October, 15.

Please Sign in to the webinar!

DNA-encoded chemical libraries (DEL) is an emerging technology that combines benefits from both high-throughput screening and display technologies. The use of DELs allows to cover enormous chemical space within a surprisingly short time and at a low cost.

DELs are built on “core” building blocks – molecules with 2-3 variation points that are either orthogonal or protected with orthogonal protective groups. Core molecules are decorated with traditional building blocks – compounds with one functionality.

Chemspace offers high-quality Building Blocks suitable as cores and as decorators for DEL.

The In-Stock sets are downloadable from the website; 2-functional and 3-functional "Core" blocks and decorators are available as separate files.

Heteroaromatic nitriles are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research. To browse the set please use the link.

Thanks everyone for joining the Chemspace-Iktos webinar 'Retrosynthesis in the AI era: opportunities and pitfalls' yesterday!

For those who didn’t have a chance to connect, the recording is already available: https://bit.ly/2G9ZHBi

Dear friends and colleagues!

We would like to invite you to join Chemspace Webinar 'Retrosynthesis in the AI era: opportunities and pitfalls', which will take place at 5:00 PM (CET) on September, 23.

Last August, a group of researchers from Germany and Ukraine, published an article 'SAR by space: enriching hit sets from the chemical space' (DOI:10.3390/molecules24173096), which describes the application of a new "REAL space" concept for mining compounds from vast chemical spaces. The "REAL space" is the world's largest collection of commercially available compounds now containing approximately 13.14 billion molecules, generated from in-stock building blocks based on 183 Enamine synthesis protocols.

Navigation in the REAL Space is a great opportunity for efficient hit finding including scaffold hopping possibilities. Such capabilities of scaffold hopping allow you to explore IP free areas as well as exclude molecules with undesirable physicochemical and ADMET properties. All these compounds could be made on-demand with a high success rate (above 80 %) within 3-4 weeks. Please try this tool on our website: https://chem-space.com/real-space!

In case of any questions just drop us a line: [email protected].

Heteroaromatic sulfonyl halides derivatives are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research. To browse the set please use the link.
 

This September, Pralsetinib (GAVRETO) received approval by FDA for the treatment of adults with metastatic rearranged during transfection (RET) fusion-positive non-small cell lung cancer (NSCLC). RET-activating fusions and mutations are key disease drivers in many cancer types, including NSCLC and medullary thyroid cancer (MTC). GAVRETO inhibits primary RET fusions and mutations that cause cancer in subsets of patients, as well as secondary RET mutations predicted to drive resistance to treatment.

Pralsetinib contains cyclohexyl pyrimidine moiety in its backbone. We have made a set of Building Blocks, which contain such part – the perfect start for your research!

Now with more than 240 million chemical building blocks from numerous suppliers, Chemspace offers the most comprehensive coverage of the chemical space available through a single source!

Targeting RNA with small molecules was suggested after discovering “druggability” of the nucleic acids similar to that of proteins.
The targeting could be aimed at cell processes for the treatment of a multitude of diseases including bacterial/viral infection and cancer.

Our Pre-Plated RNA-targeted Library consists of drug-like compounds and provides an excellent basis for drug discovery projects: https://bit.ly/31Za83u

Chemspace's Pre-Plated RNA-targeted library includes:
~ 15 RNA patterns riboswitches and phosphate binding motifs associated with bacterial and viral infections
~ 4500 compounds from Screening Compound Collection utilizing both ligands- and target-based approaches
~ compounds similar to the known RNA binders with high predicted activity

For more details, please contact us at: [email protected].

In June 2020, the article 'Brain Penetrable Inhibitors of Ceramide Galactosyltransferase for the Treatment of Lysosomal Storage Disorders' (https://bit.ly/3j4lvfS) describing the discovery of "Compound 19" as a selective brain-penetrant inhibitor of the ceramide galactosyltransferase UGT8 was published. This drug candidate shows excellent oral PK/PD in the brain model and is intended for use in substrate reduction therapy for rare lysosomal storage disorders (e.g. Metachromatic Leukodystrophy, MLD). "Compound 19" contains thieno[3,2-b]pyridine moiety in its backbone. We have made a set of compounds, which contain such part – the perfect start for your research! https://bit.ly/3ho12lS

Spiro- and aliphatic imidazolidine-2,4-dione derivatives are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research. To browse the set please use the link.

Thanks everyone for joining the webinar yesterday! For those who didn’t have a chance to connect, the recording is already available.

Join our webinar, which will take place TOMORROW at 5:00 PM (CET)! Register now by the link: https://bit.ly/2POex2j

Have a chat with Yurii and Oleksii during this year virtual Drug Discovery Chemistry!

Risdiplam (EVRYSDI), approved by FDA in August 2020, is designed for the treatment of SMA. It contains imidazo[1,2-b]pyridazine moiety. We have created a set of BBs with such part: