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Tulmimetostat

CAT: 0931-T40199-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T40199-01Size:1 mg
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CAS Number
2567686-02-4
Target
Histone Methyltransferase
Related Pathways
Chromatin/Epigenetic
Purity
0.99872
Bioactivity
Tulmimetostat (CPI-0209) is an orally active EZH1/EZH2 inhibitor with antitumor activity, utilized in the study of ovarian cancer and advanced solid tumors.
Smiles
CC1=C2C(O[C@@](C)(O2)[C@@]3(CC[C@H](CC3)N4CC(OC)C4)[H])=C(Cl)C=C1C(NCC5=C(SC)C=C(C)NC5=O)=O
Molecular Formula
C28H36ClN3O5S
Molecular Weight
562.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tulmimetostat

Tulmimetostat is under investigation in clinical trial NCT05467748 (EZH2 Inhibitor, Tulmimetostat, and PD-1 Blockade for Treatment of Advanced Non-small Cell Lung Cancer).

CAS Number2567686-02-4
PubChem CID155590998
IUPAC Name(2R)-7-chloro-2-[4-(3-methoxyazetidin-1-yl)cyclohexyl]-2,4-dimethyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Molecular FormulaC28H36ClN3O5S
Molecular Weight562.1
XLogP4.5
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity993
SMILES
CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)O[C@@](O3)(C)C4CCC(CC4)N5CC(C5)OC)Cl)SC
InChI
InChI=1S/C28H36ClN3O5S/c1-15-10-23(38-5)21(27(34)31-15)12-30-26(33)20-11-22(29)25-24(16(20)2)36-28(3,37-25)17-6-8-18(9-7-17)32-13-19(14-32)35-4/h10-11,17-19H,6-9,12-14H2,1-5H3,(H,30,33)(H,31,34)/t17?,18?,28-/m1/s1
InChIKey
CAAWBLRXQXMGHV-WOLMIXIISA-N
Chemical Structure
2D Structure
2D structure of Tulmimetostat
CAS: 2567686-02-4
CID: 155590998
Formula: C28H36ClN3O5S
MW: 562.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight562.1
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass561.2064201
Monoisotopic Mass561.2064201
Topological Polar Surface Area114 Ų
Heavy Atom Count38
Formal Charge0
Complexity993
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