PF00835231

  • CAT Number: I034464
  • CAS Number: 870153-29-0
  • Molecular Formula: C24H32N4O6
  • Molecular Weight: 472.54
  • Purity: 98%
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PF00835231(Cat No.:I034464) is a potent inhibitor of the SARS CoV-1 3CLpro (3C-like protease), a key viral enzyme involved in the replication of coronaviruses. It has shown potential as a treatment option for COVID-19, caused by SARS CoV-2, due to its ability to target a similar protease in the SARS CoV-1 virus. By inhibiting the activity of 3CLpro, PF00835231 may impede viral replication and reduce the severity of the infection. Further research and clinical trials are needed to evaluate its effectiveness against SARS-CoV-2 and its potential as a COVID-19 therapy.

Catalog Number I034464
CAS Number 870153-29-0
Synonyms

PF 00835231; PF-00835231; PF00835231; PF 835231; PF-835231; PF835231;

Molecular Formula

C24H32N4O6

Purity 98
Solubility Soluble in DMSO
Storage Store at -20°C
IUPAC Name N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
InChIKey QDIMHKWNHMVDJB-WBAXXEDZSA-N
SMILES CC(C)CC(C(=O)NC(CC1CCNC1=O)C(=O)CO)NC(=O)C2=CC3=C(N2)C=CC=C3OC
Reference

1: Hoffman RL, Kania RS, Brothers MA, Davies JF, Ferre RA, Gajiwala KS, He M, Hogan RJ, Kozminski K, Li LY, Lockner JW, Lou J, Marra MT, Mitchell LJ Jr, Murray BW, Nieman JA, Noell S, Planken SP, Rowe T, Ryan K, Smith GJ 3rd, Solowiej JE, Steppan CM, Taggart B. Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J Med Chem. 2020 Oct 15:acs.jmedchem.0c01063. doi: 10.1021/acs.jmedchem.0c01063. Epub ahead of print. PMID: 33054210; PMCID: PMC7571312.
2: Boras B, Jones RM, Anson BJ, Arenson D, Aschenbrenner L, Bakowski MA, Beutler N, Binder J, Chen E, Eng H, Hammond J, Hoffman R, Kadar EP, Kania R, Kimoto E, Kirkpatrick MG, Lanyon L, Lendy EK, Lillis JR, Luthra SA, Ma C, Noell S, Obach RS, O’Brien MN, O’Connor R, Ogilvie K, Owen D, Pettersson M, Reese MR, Rogers T, Rossulek MI, Sathish JG, Steppan C, Ticehurst M, Updyke LW, Zhu Y, Wang J, Chatterjee AK, Mesecar AD, Anderson AS, Allerton C. Discovery of a Novel Inhibitor of Coronavirus 3CL Protease as a Clinical Candidate for the Potential Treatment of COVID-19. bioRxiv [Preprint]. 2020 Sep 13:2020.09.12.293498. doi: 10.1101/2020.09.12.293498. PMID: 32935104; PMCID: PMC7491518.
3: de Vries M, Mohamed AS, Prescott RA, Valero-Jimenez AM, Desvignes L, O’Connor R, Steppan C, Anderson AS, Binder J, Dittmann M. Comparative study of a 3CL pro inhibitor and remdesivir against both major SARS-CoV-2 clades in human airway models. bioRxiv [Preprint]. 2020 Aug 28:2020.08.28.272880. doi: 10.1101/2020.08.28.272880. PMID: 32869028; PMCID: PMC7457613.

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