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EI1

CAT: 0804-HY-15573-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-15573-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EI1 (KB-145943) is a potent and selective EZH2 inhibitor with IC50 of 15 nM and 13 nM for EZH2 (WT) and EZH2 (Y641F), respectively.
CAS Number
1418308-27-6
Product Name Alternative
KB-145943
UNSPSC
12352005
Hazard Statement
H302
Target
Apoptosis; Histone Methyltransferase
Type
Reference compound
Related Pathways
Apoptosis; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ei1.html
Concentration
10mM
Purity
99.78
Solubility
DMSO : 7.69 mg/mL (ultrasonic)
Smiles
CCC(CC)N(C=C1)C2=C1C(C(NCC3=C(C)C=C(C)NC3=O)=O)=CC(C#N)=C2
Molecular Formula
C23H26N4O2
Molecular Weight
390.48
Precautions
P264-P270-P330-P501
References & Citations
[1]Qi W, et al. Selective inhibition of Ezh2 by a small molecule inhibitor blocks tumor cells proliferation. Proc Natl Acad Sci U S A. 2012 Dec 26;109 (52) :21360-5.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
EZH2

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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