ChemicalBook > CAS DataBase List > 3-Pyridineacetamide, N-cyclohexyl-α-[[4-(1,1-dimethylethyl)phenyl](1H-imidazol-5-ylcarbonyl)amino]-, (αR)-

3-Pyridineacetamide, N-cyclohexyl-α-[[4-(1,1-dimethylethyl)phenyl](1H-imidazol-5-ylcarbonyl)amino]-, (αR)-

Product Name
3-Pyridineacetamide, N-cyclohexyl-α-[[4-(1,1-dimethylethyl)phenyl](1H-imidazol-5-ylcarbonyl)amino]-, (αR)-
CAS No.
2455518-33-7
Chemical Name
3-Pyridineacetamide, N-cyclohexyl-α-[[4-(1,1-dimethylethyl)phenyl](1H-imidazol-5-ylcarbonyl)amino]-, (αR)-
Synonyms
X77;3-Pyridineacetamide, N-cyclohexyl-α-[[4-(1,1-dimethylethyl)phenyl](1H-imidazol-5-ylcarbonyl)amino]-, (αR)-
CBNumber
CB88199883
Molecular Formula
C27H33N5O2
Formula Weight
459.59
MOL File
2455518-33-7.mol
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3-Pyridineacetamide, N-cyclohexyl-α-[[4-(1,1-dimethylethyl)phenyl](1H-imidazol-5-ylcarbonyl)amino]-, (αR)- Property

Boiling point:
754.1±60.0 °C(Predicted)
Density 
1.22±0.1 g/cm3(Predicted)
storage temp. 
Store at -20°C
solubility 
DMSO: 2mg/mL, clear
form 
Solid
pka
10.60±0.10(Predicted)
color 
Off-white to light yellow
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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

ChemScene
Product number
CS-0127760
Product name
X77
Purity
99.71%
Packaging
5mg
Price
$480
Updated
2021/12/16
ChemScene
Product number
CS-0127760
Product name
X77
Purity
99.71%
Packaging
10mg
Price
$800
Updated
2021/12/16
ChemScene
Product number
CS-0127760
Product name
X77
Purity
99.71%
Packaging
25mg
Price
$1650
Updated
2021/12/16
ChemScene
Product number
CS-0127760
Product name
X77
Purity
99.71%
Packaging
50mg
Price
$2550
Updated
2021/12/16
ChemScene
Product number
CS-0127760
Product name
X77
Purity
99.71%
Packaging
100mg
Price
$3800
Updated
2021/12/16
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3-Pyridineacetamide, N-cyclohexyl-α-[[4-(1,1-dimethylethyl)phenyl](1H-imidazol-5-ylcarbonyl)amino]-, (αR)- Chemical Properties,Usage,Production

Uses

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].

Biological Activity

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).

References

[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 DOI:10.1080/07391102.2020.1792989

3-Pyridineacetamide, N-cyclohexyl-α-[[4-(1,1-dimethylethyl)phenyl](1H-imidazol-5-ylcarbonyl)amino]-, (αR)- Preparation Products And Raw materials

Raw materials

Preparation Products

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3-Pyridineacetamide, N-cyclohexyl-α-[[4-(1,1-dimethylethyl)phenyl](1H-imidazol-5-ylcarbonyl)amino]-, (αR)- Suppliers

Shanghai Yifei Biotechnology Co. , Ltd.
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China
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RD International Technology Co., Limited
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China
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TargetMol Chemicals Inc.
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Merck KGaA
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TargetMol Chemicals Inc.
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Guangzhou Baide Biotechnology Co., Ltd.
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Guangzhou Lucheng Biotechnology Co., Ltd.
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CHINA
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2455518-33-7, 3-Pyridineacetamide, N-cyclohexyl-α-[[4-(1,1-dimethylethyl)phenyl](1H-imidazol-5-ylcarbonyl)amino]-, (αR)-Related Search:


  • 3-Pyridineacetamide, N-cyclohexyl-α-[[4-(1,1-dimethylethyl)phenyl](1H-imidazol-5-ylcarbonyl)amino]-, (αR)-
  • X77
  • 2455518-33-7