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PRMT5-MTA-IN-4

CAT: 0013-GTR19263262-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263262-02Size:50 mg
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Description
PRMT5-MTA-IN-4 (Compound 30) is a potent irreversible inhibitor of protein arginine methyltransferase 5 (PRMT5) with an IC50 of 8 nM. It obstructs arginine methylation, hinders ribosomal RNA processing, and suppresses cell cycle-related protein expression. This compound shows antiproliferative activity in various tumor cell lines, exemplified by an IC50 of 0.3 μM in DLD-1 cells. PRMT5-MTA-IN-4 holds potential for research into hematological malignancies such as acute myeloid leukemia and diffuse large B-cell lymphoma.
CAS Number
3025838-18-7
Field of Research
Epigenetics & Chromatin
Smiles
N#CC1=C (OC2 (C) CC2) C=C (Cl) C (F) =C1C3=C (C=NN3C) C=4C=C (C=C) C=5C (=O) NN=C (C5C4) CN
Molecular Formula
C26H22ClFN6O2
Molecular Weight
504.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(4-(4-(aminomethyl)-1-oxo-8-vinyl-1,2-dihydrophthalazin-6-yl)-1-methyl-1H-pyrazol-5-yl)-4-chloro-3-fluoro-6-(1-methylcyclopropoxy)benzonitrile
CAS Number3025838-18-7
PubChem CID170710959
IUPAC Name2-[4-[4-(aminomethyl)-8-ethenyl-1-oxo-2H-phthalazin-6-yl]-1-methylpyrazol-5-yl]-4-chloro-3-fluoro-6-(1-methylcyclopropyl)oxybenzonitrile
Molecular FormulaC26H22ClFN6O2
Molecular Weight504.9
XLogP3.6
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity965
SMILES
CC1(CC1)OC2=CC(=C(C(=C2C#N)C3=C(C=NN3C)C4=CC(=C5C(=C4)C(=NNC5=O)CN)C=C)F)Cl
InChI
InChI=1S/C26H22ClFN6O2/c1-4-13-7-14(8-15-19(11-30)32-33-25(35)21(13)15)17-12-31-34(3)24(17)22-16(10-29)20(9-18(27)23(22)28)36-26(2)5-6-26/h4,7-9,12H,1,5-6,11,30H2,2-3H3,(H,33,35)
InChIKey
FZDBDHNJIZVGMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(4-(aminomethyl)-1-oxo-8-vinyl-1,2-dihydrophthalazin-6-yl)-1-methyl-1H-pyrazol-5-yl)-4-chloro-3-fluoro-6-(1-methylcyclopropoxy)benzonitrile
CAS: 3025838-18-7
CID: 170710959
Formula: C26H22ClFN6O2
MW: 504.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.9
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass504.1476798
Monoisotopic Mass504.1476798
Topological Polar Surface Area118 Ų
Heavy Atom Count36
Formal Charge0
Complexity965
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

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