X77

• Description:

  X77 is a potent non-covalent inhibitor of the main protease of SARS-CoV-2 (SARS-CoV-2 Mpro) [1]. X77 binds to SARS-CoV-2 Mpro with a Kd value of 0.057 μM[2].

• UNSPSC:

  12352005

• Target:

  SARS-CoV

• Type:

  Reference compound

• Related Pathways:

  Anti-infection

• Applications:

  COVID-19-anti-virus

• Field of Research:

  Infection

• Assay Protocol:

  https://www.medchemexpress.com/x77.html

• Concentration:

  10mM

• Purity:

  99.95

• Solubility:

  DMSO : 100 mg/mL (ultrasonic)

• Smiles:

  O=C(C1=CNC=N1)N(C2=CC=C(C(C)(C)C)C=C2)[C@H](C3=CC=CN=C3)C(NC4CCCCC4)=O

• Molecular Formula:

  C27H33N5O2

• Molecular Weight:

  459.58

• References & Citations:

  [1]Sohini Chakraborti, et al. Drug Repurposing Approach Targeted Against Main Protease of SARS-CoV-2 Exploiting ‘Neighbourhood Behaviour’ in 3D Protein Structural Space and 2D Chemical Space of Small Molecules.|[2]Alexander M Andrianov, et al. Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main protease. J Biomol Struct Dyn

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  -20°C, 3 years; 4°C, 2 years (Powder)

• Scientific Category:

  Reference compound1

• Clinical Information:

  No Development Reported

• CAS Number:

  [2455518-33-7]