| Identification | Back Directory | [Name]
1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI) | [CAS]
870153-29-0 | [Synonyms]
PF-00835231
1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI) | [Molecular Formula]
C24H32N4O6 | [MDL Number]
MFCD33029312 | [MOL File]
870153-29-0.mol | [Molecular Weight]
472.53 |
| Chemical Properties | Back Directory | [Boiling point ]
865.8±65.0 °C(Predicted) | [density ]
1.264±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 250 mg/mL (529.07 mM; Need ultrasonic) | [form ]
A solid | [pka]
12.76±0.10(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
PF-00835231 is a CoV-2 cysteine 3C-like protease (3CLpro) inhibitor, with IC50s of 0.27 nM and 4 nM for SARS CoV-2 and SARS CoV-1 3CLpro, respectively. PF-00835231 is developed for the research of anti-SARS-CoV-2/COVID-19. PF-00835231 can inhibit cell infections and also suppress infections in animal models[1][2][3]. | [Definition]
ChEBI: PF-00835231 is a primary alcohol resulting from the cleavage of the phosphate group of the prodrug PF-07304814. It is an inhibitor of SARS-CoV-1 and -2 main protease (3CLpro) and exhibits potent in vitro antiviral activity. It has a role as an anticoronaviral agent, an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor and a drug metabolite. It is an aromatic ether, a L-leucine derivative, an indolecarboxamide, a member of pyrrolidin-2-ones, a secondary carboxamide and a primary alcohol. | [Biological Activity]
Potent and selective corona virus hCoVSARS CoV-1 & CoV-2 main protease (Mpro; 3CLpro) substrate site Cys145 covalent inhibitor with low host cytotoxicity. | [in vivo]
PF-00835231 reduces the number of multifocal lung lesions and lung viral load in the SARS-CoV-MA15 infected BALB/c mouse model, being effective both early and late in the viral infection[3]. | [IC 50]
HIV-1; HRV3C: 2.79 μM (IC50) | [storage]
Store at -20°C | [References]
[1] Robert L Hoffman, et al. Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J Med Chem. 2020 Nov 12;63(21):12725-12747. DOI:10.1021/acs.jmedchem.0c01063
[2] de Vries M, et al. A comparative analysis of SARS-CoV-2 antivirals in human airway models characterizes 3CLpro inhibitor PF-00835231 as a potential new treatment for COVID-19. bioRxiv [Preprint]. 2021 Feb 19:2020.08.28.272880. DOI:10.1101/2020.08.28.272880
[3] Wujun Chen, wt al. Review of preclinical data of PF-07304814 and its active metabolite derivatives against SARS-CoV-2 infection. Front Pharmacol. 2022 Nov 11:13:1035969. DOI:10.3389/fphar.2022.1035969 |
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| Company Name: |
InvivoChem
|
| Tel: |
13549236410 |
| Website: |
https://www.invivochem.cn/ |
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