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Dear Specs.net user,

Welcome to the May 2013 issue of the Specs.net newsletter!

In this issue:

1 - Compound Safety, Disaster Recovery
2 - New standard in secure compound storage

3 - Kick start your research with our pre-plated sets
4 - Compound procurement by Specs
5 - Sponsoring of 10th edition Compound & Sample Management
6 - Specs on tour
7 - Latest compound releases

1 - Compound Safety, Disaster Recovery

In the event of a natural disaster are your compounds safe? Companies across the world are diligent about data backup to prepare for such events, but do you have a disaster recovery plan in place for your compounds, a.k.a. your “Crown Jewels?”

Last year, on Tuesday, October 30, 2012, the world awoke to see the mass devastation left in the wake of Hurricane Sandy. Not only was there physical destruction of property and widespread power outages, but unforeseen shortages of fuel impacted the use of backup generators across NY and NJ and New England.

Specs location in Cumberland, USASpecs offers backup services at both our US location in Maryland and at our main HQ in Delft, the Netherlands. Our US site is located in Cumberland, an area in the foothills of the Allegheny Mountains in Western Maryland. This area is extremely safe and known to be free from natural disasters such as hurricanes and earthquakes. For example, FEMA uses Cumberland as its storage site for emergency housing and TRW, a major US defense contractor, uses Cumberland as a safe site to store its corporate data backup. In summary, Cumberland is an ideal location to store your screening compound disaster set or corporate compound repository.

Due to our secure location, Specs was able to avoid any damage to the site and thus, our customers’ crown jewels remained safe. We never experienced a power outage during Sandy, although the backup generators were tested and prepared to automatically take over should it have happened.

For additional information on creating a disaster set, storing a disaster set or any other of our full portfolio of compound management services, please contact us at info@specs.net.

2 - New standard in secure compound storage

In addition to our third party compound backup services in the event of a natural disaster, Specs takes the safety of long term, off-site compound library storage to a new level. Together with Firelock® Fireproof Modular Vaults (www.firelock.com) we are installing the first dedicated fireproof disaster recovery compound storage vault at our US site in Cumberland, Maryland for a top 10 pharma company. Setting a new standard in the Compound Management business, the UL® Listed vault carries a certification for Class 125 Four Hour fire protection, as well as Zone IV Seismic Wet Stamp for earthquake protection.

We believe this will become the new paradigm in Compound Management for secure, long term storage. The modular design of these vaults allows us the flexibility to add-on for additional clients, while keeping compounds from different companies securely isolated from each other. If you would like to receive more information on our Secure Compound Storage activities, please contact us at info@specs.net.

3 - Kick start your research with our pre-plated sets

Using our decade-long experience in Cheminformatics we have analyzed the Specs compound repository and designed several diverse and focused compound libraries, which are available as pre-plated sets. These sets are a quick and cost effective starting point to set up a in-house compound collection.

World Diversity Set:
10,000 diverse compounds that have been selected specifically to maximize the geographical diversity of the library. The compounds comply to several of the most important drug-like rules including those of Lipinski and Verber.

Consortium Library:
30,335 diverse screening compounds representing the entire collection of the Specs screening library hence covering a large chemical space.

Natural Product selection:
Our complete Natural Product repository is available as a pre-plated set.

Kinase Targeted Library:

Using Eidogen-Sertanty's Kinase Knowledgebase, a library of 2,720 compounds focused toward inhibitors of several protein kinase families was designed. The selected compounds were predicted to have good bioavailability and activity against a series of therapeutically relevant kinases. A subset was experimentally validated through screening conducted at Memorial Sloan-Kettering Cancer Center against several of its in-house targets leading to a 5-fold increase in hit rate relative to the original primary screening data.

Fragment library:
Using the Astex rule of 3 filters in combination with our in-house property filters 4,536 compounds were selected to design this pre-plated set of small molecules with a molecular weight of less than 300 Dalton. This set forms a good base, ready to use in your fragment-based screening.

4 - Compound procurement by Specs

Compound Procurement by SpecsIn order to acquire compounds needed for your research activities, sourcing from twenty or more different vendors is likely. The administration and handling involved to complete such an operation can become overwhelming. In fact, many researchers or purchasing agents will sacrifice interesting compounds in order to minimize this large number of vendors. Specs can act as a third party purchaser and order compounds from the indicated vendors on your behalf and under your pricing conditions. With only one contact, the ordering process is clear and much easier to manage. For this service, you pay only the actual compound cost from the original vendor plus a small management fee for our sourcing service.

Specs will take care of the complete process, from ordering the compounds to shipping them in any given format and in one single shipment to your research facilities around the world with one consolidated database. The entire procedure can encompass:

We will contact all desired vendors, order the compounds you need, monitor all incoming shipments and take care of the administrative hassle involved. If compounds appear to be unavailable from one vendor, we can source them from other suppliers if you so desire or otherwise take care of crediting for undelivered compounds. We will crosscheck the structural integrity of all incoming compounds according to your guidelines, the correct weight and we can perform a quality check on the incoming samples by means of LC/MS and/or 1H-NMR. All samples will be reformatted into your standardized vials, plated into 96- or 384-well plates or tubes and properly bar-coded. All details concerning tare weights and contents are properly registered into one single database. In the end, one organized delivery is made, one shipment to all your research facilities, one database and one invoice. Ordering compounds has never been so easy.

5 – Sponsoring of 10th edition Compound & Sample Management

Specs sponsors the 10th jubilee edition of IQPC Compound & Sample Management Event in London on May 21-23d, 2013. Dr. Rosemary Burke from Institute of Cancer Research, UK, will share experience of her organization and their collaborator Cancer Research Technology, UK, in building up and management of Joint Compound Library, reflecting the role of Specs in this project. (Conference Day One, 11:00 - Compound Libraries - Upsizing and Outsourcing)

Dr. Johan Tijhuis, CEO and two Business Development Managers, Dave Hayes (North America) and Yulia Gerhardt-Tazikova (Europe and South/Pacific Area) will represent Specs at this event. Feel free to arrange a meeting with them upfront via info@specs.net.

https://www.specs.net/userfiles/ela2012_stand.png6 - Specs on tour

If you would like to set up a meeting with one of our representatives, please send an e-mail to info@specs.net.

7 - Latest compound releases

The latest release of the complete Specs compound library is available for download from www.specs.net. Login using your personal account details and download the library from the Available Databases directory on the 'Upload/Download' page. If you don’t have a personal account yet you can fill in the registration form and within 24 hours you will receive your personal login data.

The May 2013 Specs Compound Library release includes:

  • Screening Compounds May 2013:
  • Building Blocks May 2013:
  • Natural Products May 2013:
  • New Exciting Academic Database (ExAcD):
  • World Diversity Set 3 (WDS3):
  • Specs Consortium database:
  • Natural Products Set 3, 0.5mg dry film

197,487 entries (>10 mg)

8,508 entries
498 entries

393,932 entries

10,000 pre-plated compounds
30,335 pre-plated compounds

480 pre-plated compounds

It is also possible to download these compound libraries or the latest additions to the screening compounds collection from Specs.net after logon. Please note that from the Screening Compounds, Building Blocks and Natural Products, the April 2013 libraries will be replaced by the May 2013 libraries at the end of this month and the first 3 download links above will therefore become obsolete.

Upon request a CD-ROM version of Specs’ compound library releases can be send to you free of charge. This CD-ROM is released once every 6 months. In order to receive these CD-ROM releases, please request your subscription here or contact our sales department at info@specs.net and refer to our CD-ROM releases.

For more information on compounds available in smaller quantities (minimum amount 1 mg), please contact our sales department at info@specs.net.

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