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Chemical structure of MS023 dihydrochloride

GC36655

MS023 dihydrochloride

Also known as N'-methyl-N'-[[4-(4-propan-2-yloxyphenyl)-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine;dihydrochloride

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

ChemicalCAS1992047-64-9MW360.32FormulaC17H27Cl2N3O
CAS number
1992047-64-9
Molecular weight
360.32
Formula
C17H27Cl2N3O
Solubility
DMSO： ≥ 150 mg/mL (416·30 mM)
InChIKey
HCNXCUFNZWGILO-UHFFFAOYSA-N
Catalogue number
GC36655
Brand
GLPBIO
Computed properties PubChem CID 121513886 · TPSA 54.3 Ų · H-bond donors 4 · H-bond acceptors 3
TPSA
54.3 Ų
H-bond donors
4
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
23

SMILES CC(C)OC1=CC=C(C=C1)C2=CNC=C2CN(C)CCN.Cl.Cl

Computed descriptors from PubChem (CID 121513886), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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