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DM-01

CAT: 0931-T62403-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T62403-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2355280-00-9
Target
Others, Histone Methyltransferase
Related Pathways
Others, Chromatin/Epigenetic
Bioactivity
DM-01 is a potent and selective inhibitor of EZH2. DM-01 can be used to study diffuse large B-cell lymphoma (DLBCL), follicular lymphoma (FL) and SNF5/INI-1/SMARCB1 gene-associated solid tumours.
Smiles
Cc1cn(Cc2ccc(cc2)C(F)(F)F)c(C)c1C(=O)NCc1c(C)cc(C)[nH]c1=O
Molecular Formula
C23H24F3N3O2
Molecular Weight
431.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[(4,6-Dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
CAS Number2355280-00-9
PubChem CID141741918
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
Molecular FormulaC23H24F3N3O2
Molecular Weight431.4
XLogP3.8
Topological Polar Surface Area63.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity767
SMILES
CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C=C2C)CC3=CC=C(C=C3)C(F)(F)F)C)C
InChI
InChI=1S/C23H24F3N3O2/c1-13-9-15(3)28-21(30)19(13)10-27-22(31)20-14(2)11-29(16(20)4)12-17-5-7-18(8-6-17)23(24,25)26/h5-9,11H,10,12H2,1-4H3,(H,27,31)(H,28,30)
InChIKey
XHYKDXOCUIJBHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(4,6-Dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
CAS: 2355280-00-9
CID: 141741918
Formula: C23H24F3N3O2
MW: 431.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass431.18206150
Monoisotopic Mass431.18206150
Topological Polar Surface Area63.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity767
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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