Soft Electrophiles

 

Product Name: Format/SizeDescriptionsDownload
Soft Electrophiles8209 compounds
For cherry-picking
Update: 2016-11
The file contains all available Soft Electrophiles selected from our Signature & BioDesign Libraries. For more information, please download >>>sdf-icon pdf-icon
SL#019
Soft Electrophiles-1
(acrylamide derivatives)
80 compounds
Pre-Plated Set
Release: 2016
ASINEX has created a library of acrylamide derivatives by combining proprietary glycomimetic or peptidomimetic fragments with selected amino acrylic acids known as “soft” electrophiles that bind to Cys residues.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.
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SL#020
Soft Electrophiles-2
(heterocylic cinnaminc acid)
80 compounds
Pre-Plated Set
Release: 2016
ASINEX has created a library of heterocylic cinnaminc acid derivatives by coupling with proprietary fragments. Cinnamic acid and its derivatives are found among natural products that are known for their anti-inflammatory, anti-cancer, and cardio-protective properties. [1]
Structures are available,"click here"and downlaod "File#1 Signature Libraries.
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SL#022
Soft Electrophiles-3
(kinase+hetero-cinnamic acids)
80 compounds
Pre-Plated Set
Release: 2016
ASINEX has created a library of kinase-oriented small molecules by attaching electrophilic hetero-cinnamic acids to various kinase hinge-binding scaffolds. It is hypothesized that a Michael acceptor moiety of cinnamic acid is able to interact with Cys residues presented at the binding site. The resulting set represents a unique research tool for the discovery and optimization of new inhibitors across the kinome.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.
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SL#027
Soft Electrophiles-4
(ɑ-oxyketone and spiro-lactone)
80 compounds
Pre-Plated Set
Release: 2016
ASINEX has created a library of ɑ-oxyketone and spiro-lactone derivatives that contain mild electrophilic functional groups. Both lactones and oxyketones provide interesting small molecule probes for covalent drug discovery across multiple disease areas [2] as they interact with nucleophilic residues (e.g. Ser, Thr, Lys and Cys) of target proteins.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.
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SL#037
Soft Electrophiles-5
(heteroaromatic nitrile derivatives)
80 compounds
Pre-Plated Set
Release: 2016
ASINEX has created a library of heteroaromatic nitrile derivatives which have kinase-oriented pharmacophoric elements. These compounds are useful for the discovery of novel kinase inhibitors with improved safety, target selectivity, and pharmacokinetic properties.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.
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Other Chemo Types:

Product Name: Format/SizeDescriptionsDownload
Steroid Mimetics1687 compounds
Release: 2017-01
The file contains ALL Steroid mimetics for cherry-picking.
For more information, please download >>>
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Terpenoid Mimetics
5105 compounds
Release: 2017-01
ASINEX generates a unique library of skeletally diverse (saturated fused-, spiro- systems) highly oxygen rich molecules. The synthetic strategy is based on biomimetic transformations of natural terpenoid products, such as NOPOL, NEROL and GERANIOL, into novel polyether derivatives. These cyclic molecules contain several versatile functionalities (OH, NH, COOH) which are amenable to further medicinal chemistry exploration. For more information, please download >>>sdf-icon pdf-icon
SL#059, 060
Oxo-SpiroPyrrolidines
80 compounds x 2
Pre-Plated Set
Release: 2016
Asinex has developed a versatile synthetic approach to skeletally diverse novel spiro scaffolds that are based on a rare combination of O- and N-containing cycles with additional synthetic handles. This allows the introduction of various peripheral fragments which, in turn, create derivatives with a very attractive physico-chemical profile.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.
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SL#093
Gem_diMe_Heterocycles
80 compounds x 1
Pre-Plated Set
Release: 2018
The gem-dimethyl moiety is one of the most commonly occurring structural elements found in many pharmacologically relevant natural products (e.g. taxanes, statins). This element is also successfully used by medicinal chemists for improving potency and pharmacokinetic properties of drug candidates. Three-dimensional character of this element in combination with adjacent O, N heteroatoms translates into a broad diversity of molecular shapes and can facilitate the formation of a bioactive conformation upon binding to a target protein.
Enrichment of the screening library with small molecules containing this important pharmacophore can contribute to the discovery of potent hits against multiple targets.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.
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SL#094
4-anilinopiperidines
80 compounds x 1
Pre-Plated Set
Release: 2018
4-Anilinopiperidine is a prominent pharmacophoric element recognizable among synthetic opioid analgesics. Structural variations around the 4-anilinopiperidine core greatly determine the structure–activity relationship properties such us target receptor selectivity, pharmacokinetic and safety profiles. The main structural changes may involve replacement of piperidine ring, replacement of phenyl ring and introduction of an additional substituent at the fourth position of piperidine ring.
Annulation of an additional saturated ring to the piperidine ring increases molecular rigidity leading to a series of novel octahydro‐1H‐pyrrolo[3,2‐c]pyridines. These derivatives can be potentially interesting for pharmaceutical research of novel analgesics and related applications.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.
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SL#095 3-anilinopiperidines 80 compounds x 1
Pre-Plated Set
Release: 2018
3-Anilinopiperidine - a structural isomer of 4-anilinopiperidine which in turn represent a recognizable pharmacophore among synthetic opioid analgesics. Structural variations around the anilinopiperidine core greatly determine the structure–activity relationship properties.
Annulated bicyclic molecules, incorporating 3-anilinopiperidine fragment, can be potentially interesting for pharmaceutical research and development.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.
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SL#096
Spiro pyrrolidines
80 compounds x 1
Pre-Plated Set
Release: 2018
3-Anilinopiperidine - a structural isomer of 4-anilinopiperidine which in turn represent a recognizable pharmacophore among synthetic opioid analgesics. Structural variations around the anilinopiperidine core greatly determine the structure–activity relationship properties. Annulated bicyclic molecules, incorporating 3-anilinopiperidine fragment, can be potentially interesting for pharmaceutical research and development.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.
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SL#097
Medium-sized (8 atom) Heterocycles
80 compounds x 1
Pre-Plated Set
Release: 2018
Medium-sized rings are very interesting class of molecular frameworks that can be found in many bioactive natural products and clinical candidates. Synthetic medium-sized scaffolds are underrepresented in commercial screening collections due to limited arsenal of convenient methods of their synthesis. Several efficient synthetic methods for the preparation of medium-sized rings have been reported: lactonization, lactamization, and ring-closing metathesis. However, conventional ring closing methods have their significant limitations.
Rearrangements and ring expansion reactions can introduce additional scaffold diversity and are compatible with many functional groups. A Cu-catalyzed coupling of β-lactam substrates with aryl bromides is a simple and convenient method for the preparation of 8- and 9-membered ring systems that constitute this library.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.
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