Beyond the Flatland Library sp3 enriched

Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched Beyond the Flatland Library sp3 enriched
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Description

ChemDiv’s Beyond the Flatland Library contains 87,621 compounds.

“Escape from Flatland” – New Approach for Scaffold & Library Design. Fsp3 = number of sp3-hybridized carbons/ total carbon count.

The increase of scaffold/molecule saturation leads to:
• More diverse set of compounds
• More highly complex molecules
• Natural product-likeness
• Access to greater chemical space
• Better complement to the spatial subtleties of target proteins
• 3D-dimensionality may result in greater selectivity
• Higher water solubility
• Better phys-chemical parameters (logP and PSA)
• Very low increase of MW
• New stereo-centers

As result: Faster transition of compound from discovery to drugs.

Library Composition


Publications

  • Tsaloev A., Ilyin A., Tkachenko S., Ivachtchenko A., Kravchenko D., Krasavin M. Cyclic products of the Ugi reaction of aldehydo and keto carboxylic acids: chemoselective modification. Tetrahedron Letters. 2011, 52: 1800–1803.
  • Kysil V., Khvat A., Tsirulnikov S., Tkachenko S, Williams C., Churakova M., Ivachtchenko A. General Multicomponent Strategy for the Synthesis of2-Amino-1,4-diazaheterocycles: Scope, Limitations, and Utility. European Journal of Organic Chemistry. 2010; 1525–1543.
  • Kysil V.M., Khvat A., Tsirulnikov S., Tkachenko S., Ivachtchenko A. Multicomponent approach to unique 1,4-diazepine-2-amines. TetrahedronLetters. 2009; 50(24): 2854-2856.
  • Balakin K.V., Ivanenkov Y.A., Tkachenko S.E., Kiselyov A.S., Ivachtchenko A.V. Regulators of chemokine receptor activity as promising anticancer therapeutics. Current Cancer Drug Targets.2008; 8(4): 299-34.
  • Kiselyov A.S., Tkachenko S.E., Balakin K.V., Ivachtchenko A.V. Small-molecule modulators of Hh and Wnt signaling pathways. Expert Opinion on Therapeutic Targets. 2007; 11(8): 1087-1101.
  • Savchuk N.P., Tkachenko S.E., Balakin K.V. Design of pGPCR-targeted Libraries. In Rognan D., ed. Ligand Design for G Protein-coupled Receptors.Methods and Principles in Medicinal Chemistry (Volume 30). Weinheim: Wiley VCH. 2006, pp. 137-164.
  • Kysil V., Tkachenko S., Khvat A., Williams C., Tsirulnikov S., Churakova M., Ivachtchenko A. TMSCl-Promoted Isocyanide-Based MCR of Ethylenediamines: an Efficient Assembling of 2-Aminopyrazine Core. Tetrahedron Letters, 2007; 48(36): 6239-6244.
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