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Tazemetostat (EPZ-6438)

CAT: 1568-C12463-1gSize: 1 gDry Ice: YesHazardous: No
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CAT#:1568-C12463-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1403254-99-8
Synonyms
E7438
Target
Histone Methyltransferase
Applications
Epigenetics
Smiles
CCN (C1CCOCC1) C2=CC (=CC (=C2C) C (=O) NCC3=C (C=C (NC3=O) C) C) C4=CC=C (C=C4) CN5CCOCC5
Molecular Formula
C34H44N4O4
Additionnal Information
Tazemetostat (EPZ-6438, E7438) is a potent, and selective EZH2 inhibitor with Ki and IC50 of 2.5 nM and 11 nM in cell-free assays, exhibiting a 35-fold selectivity versus EZH1 and >4,500-fold selectivity relative to 14 other HMTs.
Storage Conditions
2 years -80 in solvent

Chemical Information

Tazemetostat

Tazemetostat is a methyltransferase inhibitor used to treat metastatic or locally advanced epithelioid sarcoma not eligible for complete resection.

CAS Number1403254-99-8
PubChem CID66558664
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
Molecular FormulaC34H44N4O4
Molecular Weight572.7
XLogP4.2
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count42
Formal Charge0
Complexity992
SMILES
CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5
InChI
InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)
InChIKey
NSQSAUGJQHDYNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tazemetostat
CAS: 1403254-99-8
CID: 66558664
Formula: C34H44N4O4
MW: 572.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.7
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass572.33625590
Monoisotopic Mass572.33625590
Topological Polar Surface Area83.1 Ų
Heavy Atom Count42
Formal Charge0
Complexity992
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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