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MS023

CAT: 0931-T6900-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T6900-02Size:2 mg
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CAS Number
1831110-54-3
Target
Histone Methyltransferase
Related Pathways
Chromatin/Epigenetic
Purity
0.9987
Bioactivity
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.
Smiles
CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Molecular Formula
C17H25N3O
Molecular Weight
287.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N1-((4-(4-isopropoxyphenyl)-1H-pyrrol-3-yl)methyl)-N1-methylethane-1,2-diamine

MS023 is a type I PRMTs inhibitor.

CAS Number1831110-54-3
PubChem CID92136227
IUPAC NameN'-methyl-N'-[[4-(4-propan-2-yloxyphenyl)-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine
Molecular FormulaC17H25N3O
Molecular Weight287.4
XLogP2
Topological Polar Surface Area54.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity290
SMILES
CC(C)OC1=CC=C(C=C1)C2=CNC=C2CN(C)CCN
InChI
InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
InChIKey
FMTVWAGUJRUAKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N1-((4-(4-isopropoxyphenyl)-1H-pyrrol-3-yl)methyl)-N1-methylethane-1,2-diamine
CAS: 1831110-54-3
CID: 92136227
Formula: C17H25N3O
MW: 287.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.4
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass287.199762429
Monoisotopic Mass287.199762429
Topological Polar Surface Area54.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
S8112-25mgMS023
C3503-10MS023 (hydrochloride)
HY-19615B-01MS023 (dihydrochloride)
A12585-500MS023 500mg
A12585-50MS023 50mg
BUP06274-01MS023 dihydrochloride

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