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Lufotrelvir

CAT: 0013-GTR19183568-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183568-01Size:2 mg
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Description
Lufotrelvir (PF-07304814) is a 3CL protease inhibitor targeting SARS-CoV-2, designed for COVID-19 research. It exhibits broad-spectrum activity against related coronaviruses in vitro and has demonstrated antiviral efficacy in animal models, supporting its investigation for novel coronavirus infections.
CAS Number
2468015-78-1
Product Name Alternative
PF-07304814, SARS-CoV-2 3CL, SARSCoV
Field of Research
Infectious Disease & Virology
Purity
99.43% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (7.24 mM) ; H2O:30 mg/mL (54.3 mM) ; DMSO:100 mg/mL (180.99 mM)
Smiles
O (C) C1=C2C (NC (C (N[C@H] (C (N[C@@H] (C[C@H]3C (=O) NCC3) C (COP (=O) (O) O) =O) =O) CC (C) C) =O) =C2) =CC=C1
Molecular Formula
C24H33N4O9P
Molecular Weight
552.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lufotrelvir

PF-07304814 is an indolecarboxamide resulting from the formal condensation of the carboxy group of 4-methoxy-1H-indole-2-carboxylic acid with the primary amino group of N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(phosphonooxy)butan-2-yl]-L-leucinamide. It is the phosphate prodrug of PF-00835231, an anticoronaviral agent. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, an anticoronaviral agent and a prodrug. It is a secondary carboxamide, a L-leucine derivative, an aromatic ether, an indolecarboxamide, a member of pyrrolidin-2-ones and a phosphate monoester. It is functionally related to a PF-00835231.

CAS Number2468015-78-1
PubChem CID154699467
IUPAC Name[(3S)-3-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] dihydrogen phosphate
Molecular FormulaC24H33N4O9P
Molecular Weight552.5
XLogP0.5
Topological Polar Surface Area196
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count38
Formal Charge0
Complexity927
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COP(=O)(O)O)NC(=O)C2=CC3=C(N2)C=CC=C3OC
InChI
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
InChIKey
FQKALOFOWPDTED-WBAXXEDZSA-N
Chemical Structure
2D Structure
2D structure of Lufotrelvir
CAS: 2468015-78-1
CID: 154699467
Formula: C24H33N4O9P
MW: 552.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.5
XLogP30.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass552.19851564
Monoisotopic Mass552.19851564
Topological Polar Surface Area196 Ų
Heavy Atom Count38
Formal Charge0
Complexity927
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M37637-01Lufotrelvir
S9858-5mgLufotrelvir (PF-07304814)

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