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Chemical Structure| 82121-08-2 Chemical Structure| 82121-08-2

Structure of 82121-08-2

Chemical Structure| 82121-08-2

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Product Citations

Product Citations

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.

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Product Details of [ 82121-08-2 ]

CAS No. :82121-08-2
Formula : C10H9NO
M.W : 159.18
SMILES Code : CC1=CC=C2C(O)=CC=NC2=C1
MDL No. :MFCD09787874

Safety of [ 82121-08-2 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H318
Precautionary Statements:P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501
Class:8
UN#:1759
Packing Group:

Application In Synthesis of [ 82121-08-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 82121-08-2 ]

[ 82121-08-2 ] Synthesis Path-Downstream   1~2

  • 1
  • <<i>m</i>-tolylimino-methyl>-malonic acid diethyl ester [ No CAS ]
  • [ 82121-08-2 ]
  • [ 848128-81-4 ]
  • 2
  • [ 25063-50-7 ]
  • [ 82121-08-2 ]
  • [ 848128-81-4 ]
 

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