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Chemical Structure| 216854-23-8 Chemical Structure| 216854-23-8
Chemical Structure| 216854-23-8

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CAS No.: 216854-23-8

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Kitel, Radoslaw ; Surmiak, Ewa ; Borggrafe, Jan ; Kalinowska-Tluscik, Justyna ; Golik, Przemyslaw ; Czub, Miroslawa , et al.

Abstract: Here, we report the fragment-based drug discovery of potent and selective fragments that disrupt the Spire2-FMN2 but not the Spire1-FMN2 interaction. Hit fragments were identified in a differential scanning fluorimetry-based screen of an inhouse library of 755 compounds and subsequently validated in multiple orthogonal biophys. assays, including fluorescence polarization, microscale thermophoresis, and 1H-15N HSQC NMR. Extensive structure-activity relationships combined with mol. docking followed by chem. optimization led to the discovery of compound 13, which exhibits micromolar potency and high ligand efficiency (LE = 0.38). Therefore, this fragment represents a validated starting point for the future development of selective chem. probes targeting the Spire2-FMN2 interaction.

Alternative Products

Product Details of (S)-3-Boc-aminopiperidine

CAS No. :216854-23-8
Formula : C10H20N2O2
M.W : 200.28
SMILES Code : O=C(OC(C)(C)C)N[C@@H]1CNCCC1
MDL No. :MFCD03093383
InChI Key :WUOQXNWMYLFAHT-QMMMGPOBSA-N
Pubchem ID :1514171

Safety of (S)-3-Boc-aminopiperidine

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501
 

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