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CPI-360

CAT: 0931-T6810-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T6810-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1802175-06-9
Target
Histone Methyltransferase, Apoptosis
Related Pathways
Apoptosis, Chromatin/Epigenetic
Purity
0.9989
Bioactivity
CPI-360 is a small molecule EZH2 inhibitor (IC50: 0.002 μM, EC50: 0.080 μM) that shows antitumor activity in an EZH200-dependent tumor xenograft model.
Smiles
[C@H](C)(N1C=2C(C(C(NCC3=C(OC)C=C(C)NC3=O)=O)=C1C)=CC=CC2)C4CCOCC4
Molecular Formula
C25H31N3O4
Molecular Weight
437.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide
CAS Number1802175-06-9
PubChem CID73442743
IUPAC NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide
Molecular FormulaC25H31N3O4
Molecular Weight437.5
XLogP3
Topological Polar Surface Area81.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity786
SMILES
CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C3=CC=CC=C32)[C@H](C)C4CCOCC4)C)OC
InChI
InChI=1S/C25H31N3O4/c1-15-13-22(31-4)20(24(29)27-15)14-26-25(30)23-17(3)28(21-8-6-5-7-19(21)23)16(2)18-9-11-32-12-10-18/h5-8,13,16,18H,9-12,14H2,1-4H3,(H,26,30)(H,27,29)/t16-/m1/s1
InChIKey
PFPSFENQCNMITC-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide
CAS: 1802175-06-9
CID: 73442743
Formula: C25H31N3O4
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass437.23145648
Monoisotopic Mass437.23145648
Topological Polar Surface Area81.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity786
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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