Accessing new chemistry for drug discovery has been recently facilitated by the approach developed by John Irwin et al. (DOI: 10.1021/acs.jcim.7b00316). Combination of Similarity Ensemble Approach (SEA) with the maximum Tanimoto similarity to the nearest bioactive was found to provide efficient prediction for all 400 million commercially available compounds in ZINC database including 340 million Enamine’s REAL compounds. You can access the files at https://zinc15.docking.org and http://files.docking.org/catalogs/20/enamine-v/. REAL compounds will be synthesized at Enamine on your request in less than 3 weeks with over 85% success rate!
A New Synthetic Route Reported For 1-(Trimethylsilyl)vinyl MIDA boronate, A Suitable Trifunctional Building Block
Recent publicationby our chemists describes gram-scale synthesis and some chemical transformations of novel trifunctional C 2building blocks – MIDA boronate shown below.
Reactions conducted in autoclaves are very popular at Enamine because they allow synthesis of unique and novel building blocks that would not be doable otherwise. The key to their successful implementation into every day’s routine are quality pressure reactors that offer safe operations and are inexpensive at the same time.
Research workshop «BIOACTIVE PEPTIDES AND THEIR PHOTOCONTROL» in the framework of HORIZON-2020 project
Enamine is organizing a research workshop within a framework of the company’s participation in a HORIZON-2020 project. The workshop will be held on June 17-19, 2017 in a hotel “Rus” under the supervision of Prof. I.V.Komarov.
Enamine is proud to announce that it has expanded its building blocks storage facility in Cincinnati totaling now 72 000 compounds. This allows Enamine to expedite logistics with its numerous US customers, offering a next-day delivery option for the majority of orders.
EnamineStore expands its e-commerce functionality: online access to safety and analytical data on purchased compounds; requesting analogues; getting online quotes; automated order processing and more arrivals Read more...
Enamine is announcing the expansion of its building blocks storage in its Cincinnati, logistic center, reaching currently more than 50 000 novel substances, with the plan to reach through its continued efforts at least 60 000 building blocks until the end of 2016. The company fulfills in this way the request of its numerous USA customers to expedite delivery time and fasten projects start.
Dr. Pavel MYKHAILIUK, CSO at Enamine, has become a finalist at European Young Chemist Award 2016. He gave a talk at 6th EuCheMS Chemistry Congress (Seville, Spain, September 11-15). The European Young Chemist Award 2016 is intended to showcase and recognise the excellent research being carried out by young scientists working in the chemical sciences.
This year Enamine celebrates 25 years of excellence in chemistry. In commemoration of this special event, we have launched a total discount program at EnamineStore.com. Please visit our online shop and apply for exceptional 25% discount for 160 000+ building blocks, 2 100 000+ screening compounds and 50 000+ fragments in stock.
Upon confirmation, your profile at EnamineStore will be granted with 25% discount that will be further automatically applied to all your online purchases made until October 31, 2016.
Hurry up! The program has just started today and the clock is ticking for this exclusive offer!
Enamine announces the launch of a mobile version of EnamineStore catalog of building blocks and screening compounds. Realizing the growing number of mobile internet users among our customers, we have developed EnamineStore MobileBeta which is optimized for smartphones and tablet PCs. We hope it will further improve catalog browsing and shopping experience for our customers and stimulate the use of new mobile technologies to access our website.
Please, read more at our blog and explore EnamineStore Mobile for yourself.
Announced on 1st March, 2016 ChemSpace, a global e-procurement marketplace for searching, purchasing and selling chemical building blocks, has already accumulated over 20 million unique reagents and become the world’s largest pool of purchasable building blocks for medicinal chemistry. ChemSpace’s powerful engine supports storage and operations with millions of chemical entries. The platform sets no limits for suppliers and thus provides access to the most actual information on innovative molecules that have just appeared on the market.
Enamine Ltd, together with Elsevier, ChemSpace SIA, Institute of Organic Chemistry of National Academy of Sciences of Ukraine, and Kyiv Institute of Bioorganic Chemistry and Petrochemistry of National Academy of Sciences of Ukraine, are co-organizing The 18th European Symposium on Fluorine Chemistry to be held on August 7 - 12, 2016 in Hotel Ramada Encore Kyiv, Ukraine. Early bird registration for the event is now open for industrial and academic participants from around the world. Student participation is possible.
This year’s Symposium is a continuation of a long tradition of gathering research and industrial leaders in the field of fluorine science from all around the globe in order to discuss modern trends in fluorine research, present latest achievements and breakthroughs. The scope of the event will include application of fluorine in areas of drug discovery, material science, agrochemistry, energy storage and many others.
The main sub-sections are as following:
- Organic and Bio-Organic Fluorine Chemistry,
- Inorganic Fluorine Chemistry,
- Physical Fluorine Chemistry
- Industrial and Polymer Fluorine Chemistry.
- Other Areas of Fluorine Science
All interested industrial and academic organizations, individual scientists and students are welcome to register for participation in this year’s leading event on Fluorine.
Nature Scientific Report “Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target”
Compound proposal contest has been held at Tokyo Institute of Technology (Japan) on January 7 - March 20 2014 in a form of open innovation competition. Organized by the Initiative for Parallel Bioinformatics (IPAB) and supported by Enamine, it was aimed at identification of novel approaches for Computer Aided Drug Discovery (CADD) and finding novel unique hit molecules.
Enamine provided its world’s largest Screening Collection as a source of diverse compounds for the contest participants, who were instructed to select a maximum of 1 200 prioritized compounds towards a specific biological target - Tyrosine-protein kinase Yes. The contest resulted into 600 unique molecules selected by jury, from which 27 inhibitors were identified, yielding finally 7 potential hits.
Enamine’s Screening Compounds Collection is a unique product offering containing more than 2 000 000 diverse and distinct compounds in significant amounts (typically, 150 mg in stock).
Mykhailiuk, P. K. Generation of C2F5CHN2 In Situ and Its First Reaction: [3+2] Cycloaddition with Alkenes Chem. Eur. J. 2014, 17, 5168. (Back Cover Picture)
Ritter, S. K. Diazoalkane Expands Fluorine Focus On Ethyl Groups Chemical & Engineering News, 92 (17), 2014.
Developing new methods for introducing fluorine into complex organic molecules has been all the rage during the past few years. Researchers preparing drug candidates and crop-protection chemicals typically seek to add a single fluorine atom or trifluoromethyl group and now have myriad ways to do so. But methods for adding longer, more lipophilic perfluoroalkyl groups, such as pentafluoroethyl, –C2F5, to complex molecules are relatively scarce. The approaches tend to be direct additions of C2F5 using organometallic transfer reagents and don’t utilize C2F5-containing building blocks.
Enamine scientists have developed a new building block for introducing C2F5 group into organic molecules. Pavel Mykhailiuk and colleagues safely generated the fluorinated diazoalkane, C2F5CHN2, in situ from C2F5CH2NH2•HCl and NaNO2. Authors demonstrated the utility of the reagent by using it in [3 + 2]-cycloadditions with mono- and disubstituted alkenes at room temperature to prepare perfluoroethylated pyrazolines with better than 95% conversion rates. Authors believe the diazofluoroalkane will also be as useful as other diazoalkanes for cyclopropanations, carbene insertions, and alkyne cycloadditions.
Controlling Biological Activity with Light: Diarylethene-Containing Cyclic Peptidomimetics
Oleg Babii, Sergii Afonin, Marina Berditsch, Sabine Reisser, Pavel K. Mykhailiuk, Vladimir S. Kubyshkin, Thomas Steinbrecher, Anne S. Ulrich and Igor V. Komarov
Angewandte Chemie International Edition 2014 53 (13), 3392–3395
Enamine scientists in collaboration with research at Karlsruhe Institute of Technology (KIT, Germany) published a study on antibiotics activated by light. It deals with synthesis of analogues of the antimicrobial peptide gramicidin S which conformations can be switched by light. This property was rendered by incorporation in its structure of an amino acid designed based on a photoisomerizable diarylethene scaffold. The biological activity of the resulting peptidomimetics can be reversibly controlled by ultraviolet/visible light.
Success of Enamine’s innovative product pipeline and service portfolio is based on the commitment of the company to the scientific research. Enamine caries out and supports research projects within the company as well as off-site in collaboration with many academic centers in Ukraine and abroad. About 30 scientific papers were published by Enamine scientists in renowned scientific journals in 2013.
336 Azides and alkynes have been selected from Enamine’s catalogue of over 90 000 Building Blocks. Their structures have been published in the Selected Building Block series. This brochure, the sixth in series, provides a useful guide to novel and innovative chemistry developed at Enamine that can find multiple applications in drug design. Cycloaddition reaction of azides and alkynes has been shown to smoothly provide excellent yields of 1,2,3-triazoles. It has been recognized as an outstanding example of “click chemistry” This reaction can be used to selectively synthesize both 1,4- and 1,5-substituted triazoles. Besides reaction with azides alkynes undergo many other cycloaddition reactions.
With development of on-line chemical directories acquiring necessary reagents and building blocks for day-to-day research activity has become a technical routine. Many thousands of building blocks are now available in the market and sub-structure search can efficiently provide a selection of reagents to buy. However, this approach might be limited. With over 80,000 building blocks synthesized and now available from our stock we are a recognized leader in the market. Our catalogue features versatile building block classes and adds 1,000 products each month. Although they all are available for purchase through EnamineStore and many public or corporate chemical databases we wanted to gather together the most interesting and recently prepared building blocks to provide a series of useful guides to a novel and innovative chemistry. First five brochures have been published to highlight our rich collections of Advanced Morpholine Analogues, Bicyclic Aliphatic Amines, Fluorinated Aliphatic Amines, Isocyanates, Isothiocyanates, and Trifluoroethyl Carbamates, and Sulfonyl Chlorides and other Sulfonylating Agents.
The new version of EnamineStore provides enhanced functionality to quickly search and purchase from catalogues of Enamine and UORSY (collectively over 10 million compounds). The following improvements have been realized besides changes in general form layouts:
- one search form with multiple usage modes for both easy and advanced queries introduced;
- support of advanced query features introduced (multiple fragments, lists of atoms, generic query atoms, etc.);
- structure can be imported directly into the query editor;
- structural search history kept for the session;
- search by any supported structure identifier (Enamine catalog number, CAS/ ACD number or chemical name) or their list instantly introduced;
- new additional parameters can be added to building block queries: price limit and regional stock availability;
- found structures can be refined with a consecutive search using two different modes.
- one-click search of close analogs, relevant by functional groups introduced;
- one-click transfer of structure to query builder introduced;
- building block prices visible directly in catalog (no need to put an item to cart to check price);
- transport conditions data added;
- added data export in tabular form (.csv format), export-related bugs fixed;
- information provided in a more user-friendly manner;
- consistent handling of screening compounds featuring multiple batches with different salt parts introduced.
- any item can be purchased in multiple different batches;
- salt part may be selected for screening compounds (whenever option available);
- inquiries for out-of-stock items are handled through cart and checkout as a part of ordering process.
Ukrainian Team sponsored by Enamine reached Top 5 at the recent 45th International Chemistry Olympiad 2013
Four Ukrainian students won respectively three Gold medals and one Bronze medal at the 45th Chemistry Olympiad held in Moscow on July 15-24, 2013.
The Ukrainian Team competed against 291 students from 73 countries.
Members of Ukrainian Olympic team:
Andriy Stelmakh, Lviv Physics and Mathematics Lyceum – Gold Medal
Oleksandr Vyhivsky, Kharkiv school # 47 – Gold Medal
Mykyta Onizhuk, Kharkiv technical school # 173 – Gold Medal
Khrystofor Khokhlov, Kiev school # 145 – Bronze Medal
Enamine is continuously aiming towards excellence, in its organization, products & services. The company is proud of the achievement of the Ukrainian team and to have sponsored its national team. Sponsoring such event is a natural initiative from Enamine and we would like to warmly congratulate the four students for their results.
Recently several new features were made available to users of EnamineStore:
- card payments are enabled for all pending invoices issued by Enamine for both on-line and off-line orders – now it is possible to securely pay any outstanding invoice with credit card in the Billing section
- storage conditions, regional stock availabilities, MDL reference numbers and chemical names are displayed for Building Blocks
- lists of MDL numbers can be searched using the Search Wizard
- sample certificates of analysis and material safety data sheets for building blocks can be downloaded from the catalog instead of plain analytical data provided before
- Rush delivery can be requested for a building block being ordered on-line (subject to regional availability)