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EI1

CAT: 0957-S7611-100mgSize: 100 mgDry Ice: YesHazardous: No
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CAT#:0957-S7611-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1418308-27-6
Synonyms
KB-145943
Target
Histone Methyltransferase
Applications
Epigenetics
Smiles
CCC (CC) N1C=CC2=C (C=C (C=C21) C#N) C (=O) NCC3=C (C=C (NC3=O) C) C
Molecular Formula
C23H26N4O2
Additionnal Information
EI1 is a potent and selective EZH2 inhibitor with IC50 of 15 nM and 13 nM for EZH2 (WT) and EZH2 (Y641F), respectively.
Storage Conditions
2 years -80 in solvent

Chemical Information

6-Cyano-N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(1-ethylpropyl)-1H-indole-4-carboxamide
CAS Number1418308-27-6
PubChem CID72199293
IUPAC Name6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindole-4-carboxamide
Molecular FormulaC23H26N4O2
Molecular Weight390.5
XLogP3.4
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity771
SMILES
CCC(CC)N1C=CC2=C(C=C(C=C21)C#N)C(=O)NCC3=C(C=C(NC3=O)C)C
InChI
InChI=1S/C23H26N4O2/c1-5-17(6-2)27-8-7-18-19(10-16(12-24)11-21(18)27)22(28)25-13-20-14(3)9-15(4)26-23(20)29/h7-11,17H,5-6,13H2,1-4H3,(H,25,28)(H,26,29)
InChIKey
PFHDWRIVDDIFRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Cyano-N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(1-ethylpropyl)-1H-indole-4-carboxamide
CAS: 1418308-27-6
CID: 72199293
Formula: C23H26N4O2
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass390.20557608
Monoisotopic Mass390.20557608
Topological Polar Surface Area86.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity771
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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