General
Preferred name
MS023
Synonyms
MS023 2HCl ()
MS 023 dihydrochloride ()
GTPL8955 ()
MS023 (dihydrochloride) ()
Compound 3 ()
MS023 hydrochloride ()
MS023 dihydrochloride ()
MS023 (hydrochloride) ()
P&D ID
PD000026
CAS
1992047-64-9
1831110-54-3
2108631-19-0
Tags
available
probe
Probe info
Probe type
calculated probe
experimental probe
Probe sources
Chemical Probes.org
High-quality chemical probes
Protein methyltransferases chemical toolbox
SGC Probes
Tool Compound Set
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Orthogonal probes
13
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
MS023 is an inhibitor of type I arginine methyltransferases (PRMTs) . Type I PRMTs include PRMT1, 3, 4, 6 and 8. These enzymes catalyze mono- and asymmetric dimethylation of arginine residues. MS023 is being made available from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.
(GtoPdb)
COMMENT
MS023 is a potent and non-selective inhibitor of Type-1 PRMT's and is structurally related to the PRMT6 inhibitor EPZ020411. MS023 binding to PRMT6 has been confirmed using orthogonal assays, including DSF (at high concentrations) and ITC. MS023 does not inhibit a panel of 25 PKMTs (protein lysine methyltransferases), and DNMTs (DNA methyltransferases) and three histone lysine demethylases (IC50<100nM). Inhibition of PRMT1 and PRMT6 with M023 translates to inhibition of asymmetric dimethylation of H4R3 (in MCF7 cells) and H3R2 (in HEK293 cells)(IC50<100nM). Pan-inhibition of Type 1 PRMT's with M023 translates to inhibition of global mono- and asymmetric dimethylation of arginine residues in MCF7 and HEK293 cells. MS023 did not have a major influence in cell viability (8 cell lines) after 96h, at concentrations up to 10µM, except for HEK293 cells. No ADME of physicochemical information on MS023 is available. MS023 (and its inactive analogue MS094) should be used in-cell based assays to interrogate the pharmacological consequences of non-selective PRMT inhibition. Feb 19 2020 - 4:00pm
DESCRIPTION
MS023 is a potent, selective, and cell-active inhibitor of human type I protein arginine methyltransferases (PRMTs) inhibitor, with IC50s of 30, 119, 83, 4 and 5 nM for PRMT1, PRMT3, PRMT4, PRMT6, and PRMT8, respectively[1].
PRICE
86
DESCRIPTION
MS023 dihydrochloride is a potent, selective, and cell-active inhibitor of human type I protein arginine methyltransferases (PRMTs) inhibitor, with IC50s of 30, 119, 83, 4 and 5 nM for PRMT1, PRMT3, PRMT4, PRMT6, and PRMT8, respectively[1].
PRICE
90
MOA
Inhibitor
(Chemical Probes.org)
DESCRIPTION
MS023 is a potent, selective, and cell-active Type I PRMT inhibitor with IC50 values of 30 nM, 119 nM, 83 nM, 4 nM, and 5 nM for PRMT1, PRMT3, PRMT4, PRMT6, and PRMT8, respectively.
(TargetMol Bioactive Compound Library)
DESCRIPTION
LSD1 inhibitor
(Tocris Bioactive Compound Library)
DESCRIPTION
MS023 dihydrochloride (MS023 2HCl) is a selective, cytosolic and highly potent inhibitor of human type I protein arginine methyltransferases (PRMTs) with antitumour activity, inhibits PRMT1, PRMT3, PRMT4, PRMT6, and PRMT8, and increases the proliferative capacity of isolated cultured MuSC. It can be used to study breast cancer.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
3
Organisms
0
Compound Sets
17
AdooQ Bioactive Compound Library
Chemical Probes.org
CZ-OPENSCREEN Bioactive Library
EU-OPENSCREEN Bioactive Compound Library
EUbOPEN Chemogenomics Library
Guide to Pharmacology
High-quality chemical probes
Mcule NIBR MoA Box Subset
Novartis Chemogenetic Library (NIBR MoA Box)
Protein methyltransferases chemical toolbox
Selleckchem Bioactive Compound Library
SGC Probes
Tocris Bioactive Compound Library
Tool Compound Set
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Molecular Weight
287.2
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
7
Ring Count
2
Aromatic Ring Count
2
cLogP
2.86
TPSA
54.28
Fraction CSP3
0.41
Chiral centers
0.0
Largest ring
6.0
QED
0.82
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Histone-arginine methyltransferase CARM1
Protein-arginine N-methyltransferase 1
Protein arginine N-methyltransferase 3
Protein arginine N-methyltransferase 5
Protein arginine N-methyltransferase 6
Histone methyltransferase
PRMT1
PRMT3
PRMT4
PRMT6
PRMT8
PRMT1, PRMT3, CARM1, PRMT6, PRMT8
PRMT1, PRMT3, PRMT4, PRMT6, PRMT8
Histone Methyltransferase,PRMT
PRMT
CARM1
PRMT1, PRMT6, CARM1, PRMT8, PRMT3
Primary Target
Protein Arginine Methyltransferases
MOA
Inhibitor
Type I PRMT inhibitor
Member status
member
Orthogonal probe
EPZ020411
Target subclass
Protein methyltransferase
Protein methyltransferase, Protein methyltransferase, Protein methyltransferase, Protein methyltransferase, Protein methyltransferase
Target class
Epigenetics
Epigenetic, Epigenetic, Epigenetic, Epigenetic, Epigenetic
Pathway
Chromatin/Epigenetic
Protein Family
Histone Methyltransferase
Control
MS094
Recommended Cell Concentration
1 uM
Source data
