(Rac) -X77
(Rac) -X77 is a racemate of X77. 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].
Product Specifications
CAS Number
2144491-78-9
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/rac-x77.html
Purity
99.65
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=C(NC1CCCCC1)C(C2=CN=CC=C2)N(C3=CC=C(C(C)(C)C)C=C3)C(C4=CN=CN4)=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
Available Sizes
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