SML3157

X77

≥95% (HPLC)

• Synonym(e): (αR)-N-Cyclohexyl-α-[[4-(1,1-dimethylethyl)phenyl](1H-imidazol-5-ylcarbonyl)amino]-3-pyridineacetamide
• Empirische Formel (Hill-System): C₂₇H₃₃N₅O₂
• CAS-Nummer: 2455518-33-7
• Molekulargewicht: 459.58
• UNSPSC Code: 12352200
• NACRES: NA.77
• MDL number: MFCD33402172
• Assay: ≥95% (HPLC)
• Form: powder

Eigenschaften

• Quality Segment: 100
• assay: ≥95% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: O=C([C@H](N(C(C1=CN=CN1)=O)C2=CC=C(C(C)(C)C)C=C2)C3=CN=CC=C3)NC4CCCCC4
• InChI: 1S/C27H33N5O2/c1-27(2,3)20-11-13-22(14-12-20)32(26(34)23-17-29-18-30-23)24(19-8-7-15-28-16-19)25(33)31-21-9-5-4-6-10-21/h7-8,11-18,21,24H,4-6,9-10H2,1-3H3,(H,29,30)(H,31,33)/t24-/m1/s1
• InChI key: MUNFBYOTGGMQOS-XMMPIXPASA-N

Beschreibung

Biochem/physiol Actions

High affinity non-covalent inhibitor of the SARS-CoV-2 main protease (SARS-CoV-2 Mpro); reference standard in number of docking and x-ray studies

X77 is considered as a reference standard in number of docking and x-ray studies. X77 is a high affinity non-covalent inhibitor of the SARS-CoV-2 main protease (SARS-CoV-2 Mpro). Its calculated dissociation constant (Kd) is 0.057 μM. X77 is an analog of ML188 a selective non-covalent SARS-CoV 3CLpro inhibitor (IC50 = 1.5 μM).

Sicherheitshinweise

• Lagerklasse: 11 - Combustible Solids
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable