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Last October, a group of researchers published a study that describes usage of strategy to improve activity of amines and azoles through installation of N-trifluoromethyl group and investigation of their properties. Comparing the stability of N-trifluoromethyl amines and N-trifluoromethyl azoles in aqueous media showed that the latter compounds are stable, and the former ones are prone to hydrolysis. The authors also showed that the N-trifluoromethyl azoles have higher lipophilicity than N-methyl analogs and can show increased metabolic stability and Caco-2 permeability.
We at Chemspace have selected two sets with derivatives of N-trifluoromethyl-imidazole and N-trifluoromethyl-pyrazole.

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

Phenols 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 the Chemspace & Molecular Forecaster Webinar 'Democratizing computer-aided drug design with accessible services, software, and molecules', which will take place at 5:00 PM (CET)/11:00 AM (EST) TOMORROW.

We are happy to announce a new content series inspired by Drug Hunter’s “Small Molecules of the Month” series (drug-hunter.com)!

Drug Hunter’s “Small Molecules of the Month” articles provide insights on recent developments in drug discovery including recently published biological tool compounds, lead molecules, and drug candidates. Chemspace can support additional research in these areas with commercial samples of these new molecules as well as their analogs selected from the largest catalog of over 6.5M off-the-shelf and 1.6B made-on-demand small molecules from world-renown vendors.

This January, Vericiguat (VERQUVO) received approval by FDA as a drug for patients who have symptomatic, chronic heart failure with reduced ejection fraction (HFrEF).

It targets cyclic guanosine monophosphate (cGMP), as a means to lower the risk of cardiovascular events in high-risk patients. Vericiguat stimulates soluble guanylate cyclase (sGC) to produce cGMP and restore nitric oxide sensitivity. By increasing cGMP production, Vericiguat decreases arterial constriction and arterial stiffness.

Meet Chemspace Monthly Digest! 

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

Dear friends and colleagues!
Join the Chemspace & Molecular Forecaster Webinar 'Democratizing computer-aided drug design with accessible services, software, and molecules', which will take place at 5:00 PM (CET)/11:00 AM (EST) on February, 11.

Aliphatic Sulfonylhalides 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!

Dear friends and colleagues!
We are happy to announce that Selleck Chemicals has joined Chemspace platform!
Selleck Chemicals actively tracks the latest science publications so customers can rely on them as the leading supplier of the newest bioactive compounds and probes.
Now more than 6 000 compounds supplied by Selleck Chemicals are available via Chemspace!

Dear friends and colleagues!
Join the Chemspace & Enamine Webinar 'Research at Enamine: a review of recent scientific publications', which will take place Tomorrow at 5:00 PM (CET).
In this webinar, Dr. Oleksandr Grygorenko will give a talk on recent papers from the Scientific Support Department and its collaborators, providing a brief view on a huge diversity of chemistries done at Enamine Ltd.

Last October, the article 'Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1α Inhibitory Activity' describing identification of a potent inhibitor of the unfolded protein response (UPR) regulating potential anticancer target IRE1α was published.

Substitution of the amino-quinazoline moiety in initial clinical candidate to amino-thienopyrimidine (“Compound 25”) shows more than the 1000-fold decrease in BRaf activity with the same good IRE1α cellular potency.

Dear friends and colleagues!
Join the Chemspace & Enamine Webinar 'Research at Enamine: a review of recent scientific publications', which will take place at 5:00 PM (CET) on January, 28.
In this webinar, Dr. Oleksandr Grygorenko will give a talk on recent papers from the Scientific Support Department and its collaborators, providing a brief view on a huge diversity of chemistries done at Enamine Ltd.

Fluoro-Thiols 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 December 2020, Relugolix (ORGOVYX) received approval by the FDA for the treatment of adult patients with advanced prostate cancer.

It is a selective antagonist of the gonadotropin-releasing hormone receptor (GnRHR). Unlike most other GnRH modulators, Relugolix is a non-peptide and small-molecule compound and is orally active.

This drug contains 2-aminothiophene-3-carboxylic acid moiety in its backbone.

We have made a set of Building Blocks, which contain Thiophene, 1H-Pyrrole and Furan carboxylic acid parts – the perfect start for your research!

Meet Chemspace Monthly Digest! 

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

Aliphatic Alcohols 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 October, the article 'Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics' describing research of small molecule thrombin inhibitors for the oral application was published.

Knowledge of the protein structure and the pregnane X receptor (PXR) helped to overcome a persistent cytochrome P450 3A4 induction problem. After successful design, synthesis, and testing, researches selected series "BAY 1217224" for further development.

This July, a group of researchers published an article 'Non-Classical Phenyl Bioisosteres as Effective Replacements in a Series of Novel Open Source Antimalarials'. The paper describes the study of some analogs of phenyl group in a series of drug candidates against malaria. The results show that cubane and closo-carborane analogues exhibit improved in vitro potency while bicyclo[1.1.1]pentane (BCP) analogue is equipotent against Plasmodium falciparum (compared to the parent phenyl-containing compound). The former analogs show some changes in metabolic stability.

In April 2020, a group of researchers published an article 'Design and Synthesis of 56 Shape‐Diverse 3D Fragments'.
The paper describes a workflow for the design and synthesis of 56 3D disubstituted pyrrolidine and piperidine fragments which occupy under-represented areas of fragment space. These 3D fragments were designed to contain suitable synthetic handles for future fragment elaboration. Comparing these 3D fragments with six commercial libraries, the authors showed that the new collection has high three‐dimensionality and shape diversity.

This November, Lonafarnib (ZOKINVY) received approval by the FDA as a drug to reduce the risk of death due to Hutchinson-Gilford progeria syndrome and for the treatment of certain processing-deficient progeroid laminopathies in patients one year of age and older.
Lonafarnib, a farnesyltransferase inhibitor, is an oral medication that helps prevent the buildup of defective progerin or progerin-like protein.

This drug contains 4-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene moiety in its backbone.

We have made a set of Building Blocks, which contain such part – the perfect start for your research!

1,3-Dioxane-5-Amines 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.

Now you can specify the type of products while submitting your query on Chemspace, the largest online catalog of small molecules! Please, try this link!