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[ CAS No. 28957-04-2 ] {[proInfo.proName]}

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Chemical Structure| 28957-04-2
Chemical Structure| 28957-04-2
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Krueger, Nadine ; Kronenberger, Thales ; Xie, Hang , et al. DOI: PubMed ID:

Abstract: The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has forced the development of direct-acting antiviral drugs due to the coronavirus disease 2019 (COVID-19) pandemic. The main protease of SARS-CoV-2 is a crucial enzyme that breaks down polyproteins synthesized from the viral RNA, making it a validated target for the development of SARS-CoV-2 therapeutics. New chem. phenotypes are frequently discovered in natural goods. In the current study, we used a fluorogenic assay to test a variety of natural products for their ability to inhibit SARS-CoV-2 Mpro. Several compounds were discovered to inhibit Mpro at low micromolar concentrations It was possible to crystallize robinetin together with SARS-CoV-2 Mpro, and the X-ray structure revealed covalent interaction with the protease's catalytic Cys145 site. Selected potent mols. also exhibited antiviral properties without cytotoxicity. Some of these powerful inhibitors might be utilized as lead compounds for future COVID-19 research.

Keywords: COVID-19 ; antivirals ; coronavirus ; covalent drugs ; dynamic light scattering ; inhibitors ; main protease ; natural products

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Product Details of [ 28957-04-2 ]

CAS No. :28957-04-2 MDL No. :MFCD00221762
Formula : C20H28O6 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 364.43 Pubchem ID :-
Synonyms :
NSC-250682;Isodonol;Oridonine;Rubescenin
Chemical Name :(1α,6β,7α,14R)-1,5,6,14-Tetrahydroxy-4,4-dimethyl-8-methylenedecahydro-1H-6,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-7(8H)-one

Safety of [ 28957-04-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 28957-04-2 ]

* 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 [ 28957-04-2 ]

[ 28957-04-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 28957-04-2 ]
  • [ 2991-28-8 ]
  • (1S,5S,6S,6aR,9S,11aS,11bS,14R)-1,5,6-trihydroxy-4,4-dimethyl-8-methylene-7-oxododecahydro-1H-6,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-14-yl 2,5-difluorobenzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
83% With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; General procedure: Oridonin (100 mg, 0.27 mmol) wasmixed with 4-methoxycinnamic acid (48 mg, 0.27 mmol),EDCI(157 mg, 0.82 mmol) and DMAP(101 mg, 0.82 mmol) in drydichloromethane(10 mL) and stirred at room temperature overnight.The mixturewas poured into 1MHCl solution, and extractedwith dichloromethane. The organic layer was combined, washedwith water and saturated NaCl solutions, dried over anhydrousMgSO4, filtered, and concentrated in vacuo. The crude product waspurified by column chromatography to give the compound 20(122 mg, 86%) as a white solid
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