PF-00835231 - ≥98%, high purity , CAS No.870153-29-0

Item Number
P414478
Grouped product items
SKUSizeAvailabilityPrice Qty
P414478-5mg
5mg
In stock
$167.90
P414478-10mg
10mg
In stock
$276.90
P414478-25mg
25mg
In stock
$623.90
P414478-50mg
50mg
In stock
$969.90
P414478-100mg
100mg
In stock
$1,563.90

SARS-CoV Inhibitors

Basic Description

SynonymsPF-00835231 | 870153-29-0 | B5R5IQ1D64 | PF00835231 | PF-835231 | (3S)-3-(((2S)-2-((4-Methoxy-1H-indole-2-carbonyl)amino)-4-methylpentanoyl)amino)-2-oxo-4-((3S)-2-oxopyrrolidin-3-yl)butanol | (3S)-3-((N-((4-Methoxy-1H-indol-2-yl)carbonyl)-L-leucyl)amino)-2-oxo-4-((3S
Specifications & PurityMoligand™, ≥98%
Biochemical and Physiological MechanismsPF-00835231 is a 3CLpro (Mpro) inhibitor that may targets SARS-CoV-2 protease 3CLpro as a potential new treatment for COVID-19.
Storage TempProtected from light,Store at -20°C
Shipped InIce chest + Ice pads
GradeMoligand™
Product Description

Information

PF-00835231 PF-00835231 is a 3CL pro (M pro ) inhibitor that may targets SARS-CoV-2 protease 3CL pro as a potential new treatment for COVID-19.


Targets

3CLpro


In vitro

A time-of-drug-addition approach delineates the timing of early SARS-CoV-2 life cycle steps in A549+ACE2 cells and validates PF-00835231\'s early time of action. In a model of the human polarized airway epithelium, PF-00835231 potently inhibits SARS-CoV-2 at low micromolar concentrations. PF-00835231 exhibits the potential as an effective SARS-CoV-2 antiviral.


Cell Research(from reference)

Cell lines:A549 cells, human airway epithelial cultures (HAEC) 

Concentrations:1 nM-10 μM 

Incubation Time:0-4 h 

Product Properties

ALogP1.107
HBD Count5
Rotatable Bond11

Associated Targets(Human)

F2 Tclin Thrombin (11687 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ELANE Tclin Leukocyte elastase (8173 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CTSD Tchem Cathepsin D (3201 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CASP2 Tchem Caspase-2 (173 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CTSB Tchem Cathepsin B (3822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Huh-7 (12904 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MRC5 (9203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
H9 (1832 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
H1-HeLa (123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

pol Human immunodeficiency virus type 1 protease (9113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CTSL Cathepsin L (58 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Human immunodeficiency virus 1 (70413 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hepatitis C virus (23859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rhinovirus B14 (1052 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rhinovirus A16 (69 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Human coronavirus 229E (235 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Vero 76 (245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Middle East respiratory syndrome-related coronavirus (220 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV (424 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Vero C1008 (1716 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Names and Identifiers

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
InChi Key QDIMHKWNHMVDJB-WBAXXEDZSA-N
Canonical SMILES CC(C)CC(C(=O)NC(CC1CCNC1=O)C(=O)CO)NC(=O)C2=CC3=C(N2)C=CC=C3OC
Isomeric SMILES CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO)NC(=O)C2=CC3=C(N2)C=CC=C3OC
Alternate CAS 870153-29-0
PubChem CID 11561899
MeSH Entry Terms ((3S)-3-((2S)-2-((4-methoxy-1H-indol-2-yl)formamido)-4-methylpentanamido)-2-oxo-4-((3S)-2-oxopyrrolidin-3-yl)butoxy)phosphonic acid;(14C)-PF-07304814;14C labeled PF-07304814;14C-PF-07304814;4-methoxy-N-((2S)-4-methyl-1-oxo-1-(((2S)-3-oxo-1-((3S)-2-oxopyrr
Molecular Weight 472.53

Certificates

Certificate of Analysis(COA)

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5 results found

Lot NumberCertificate TypeDateItem
G2220190Certificate of AnalysisJun 09, 2022 P414478
G2220191Certificate of AnalysisJun 09, 2022 P414478
G2220192Certificate of AnalysisJun 09, 2022 P414478
G2220193Certificate of AnalysisJun 09, 2022 P414478
G2220195Certificate of AnalysisJun 09, 2022 P414478

Chemical and Physical Properties

SolubilitySolubility (25°C) In vitro DMSO: 95 mg/mL (201.04 mM); Ethanol: 95 mg/mL (201.04 mM); Water: Insoluble;
SensitivityLight sensitive
DMSO(mg / mL) Max Solubility95
DMSO(mM) Max Solubility201.045436268597
Water(mg / mL) Max Solubility<1

Related Documents

References

1. Cannalire R, Cerchia C, Beccari AR, Di Leva FS, Summa V.  (2020)  Targeting SARS-CoV-2 Proteases and Polymerase for COVID-19 Treatment: State of the Art and Future Opportunities..  J Med Chem,  129  (3): (589-97).  [PMID:33186044]

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