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Chemical structure of TM-1

GC65502

TM-1

Also known as 3-(3,4-dimethoxyphenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-4-methylchromen-2-one

TM-1 is a potent inhibitor of pyruvate dehydrogenase kinase (PDHK1)· TM-1 inhibits PDHK1 and PDHK2 with IC50s of 2·97 μM and 5·2 μM, respectively· TM-1 blocks pyruvate dehydrogenase complex (PDHC) phosphorylation, and inhibits cell proliferation

ChemicalCAS921099-13-0MW468.54FormulaC26H32N2O6
CAS number
921099-13-0
Molecular weight
468.54
Formula
C26H32N2O6
InChIKey
FJPOSFVCWXTUDP-UHFFFAOYSA-N
Catalogue number
GC65502
Brand
GLPBIO
Computed properties PubChem CID 16424570 · XLogP 2.5 · TPSA 80.7 Ų · H-bond donors 1
XLogP
2.5
TPSA
80.7 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
34

SMILES CC1=C(C(=O)OC2=C1C=CC(=C2)OCCN3CCN(CC3)CCO)C4=CC(=C(C=C4)OC)OC

Computed descriptors from PubChem (CID 16424570), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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