Lufotrelvir
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MedKoo CAT#: 463434

CAS#: 2468015-78-1

Description: Lufotrelvir is a small molecule prodrug that targets the 3CLpro protease (Mpro), which is used by viruses like SARS-CoV-2 to assemble and multiply. Once administered through intravenous infusion, the compound is cleaved into PF-00835231 to exert its anti-viral effects. Lufotrelvir, developed by Pfizer, was first identified during the SARS outbreak in 2002-2003; it was subsequently shelved as the outbreak was controlled. Now, it is being tested regarding the novel SARS-CoV-2 virus, including studies in conjunction with Remdesivir to treat COVID-19 infection; in vitro data showed synergistic effects on articles published on preprint servers. (from https://go.drugbank.com/drugs/DB16514).

Chemical Structure

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Lufotrelvir
CAS# 2468015-78-1
Instruction

Theoretical Analysis

MedKoo Cat#: 463434
Name: Lufotrelvir
CAS#: 2468015-78-1
Chemical Formula: C24H33N4O9P
Exact Mass: 552.20
Molecular Weight: 552.521
Elemental Analysis: C, 52.17; H, 6.02; N, 10.14; O, 26.06; P, 5.61

Price and Availability

Size Price Availability Quantity
5mg USD 315 2 Weeks
25mg USD 750 2 Weeks
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Synonym: Lufotrelvir; Lufotrelvirum; PF-07304814; PF07304814; PF 07304814;

IUPAC/Chemical Name: (S)-3-((S)-2-(4-methoxy-1H-indole-2-carboxamido)-4-methylpentanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butyl dihydrogen phosphate

InChi Key: FQKALOFOWPDTED-WBAXXEDZSA-N

InChi Code: InChI=1S/C24H33N4O9P/c1-13(2)9-18(28-24(32)19-11-15-16(26-19)5-4-6-21(15)36-3)23(31)27-17(10-14-7-8-25-22(14)30)20(29)12-37-38(33,34)35/h4-6,11,13-14,17-18,26H,7-10,12H2,1-3H3,(H,25,30)(H,27,31)(H,28,32)(H2,33,34,35)/t14-,17-,18-/m0/s1

SMILES Code: O=C1NCC[C@H]1C[C@H](NC([C@@H](NC(C(N2)=CC3=C2C=CC=C3OC)=O)CC(C)C)=O)C(COP(O)(O)=O)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 552.52 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: 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.