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TM-1

CAT: 0013-GTR19185554-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185554-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TM-1 is a cell-permeable PDHK inhibitor with IC50 values of 2.97 μM and 5.2 μM against PDHK1 and PDHK2, respectively. It activates the pyruvate dehydrogenase complex by blocking its phosphorylation and has been shown to suppress cancer cell proliferation in vitro, making it a useful tool for studying cancer metabolism.
CAS Number
921099-13-0
Field of Research
Cell Biology, Metabolism Research, Protein Biochemistry
Purity
99.61% (May vary between batches)
Smiles
O=C1OC2=CC (OCCN3CCN (CCO) CC3) =CC=C2C (=C1C=4C=CC (OC) =C (OC) C4) C
Molecular Formula
C26H32N2O6
Molecular Weight
468.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(3,4-dimethoxyphenyl)-7-(2-(4-(2-hydroxyethyl)piperazin-1-yl)ethoxy)-4-methyl-2H-chromen-2-one
CAS Number921099-13-0
PubChem CID16424570
IUPAC Name3-(3,4-dimethoxyphenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-4-methylchromen-2-one
Molecular FormulaC26H32N2O6
Molecular Weight468.5
XLogP2.5
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity707
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OCCN3CCN(CC3)CCO)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C26H32N2O6/c1-18-21-6-5-20(33-15-13-28-10-8-27(9-11-28)12-14-29)17-23(21)34-26(30)25(18)19-4-7-22(31-2)24(16-19)32-3/h4-7,16-17,29H,8-15H2,1-3H3
InChIKey
FJPOSFVCWXTUDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3,4-dimethoxyphenyl)-7-(2-(4-(2-hydroxyethyl)piperazin-1-yl)ethoxy)-4-methyl-2H-chromen-2-one
CAS: 921099-13-0
CID: 16424570
Formula: C26H32N2O6
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass468.22603674
Monoisotopic Mass468.22603674
Topological Polar Surface Area80.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity707
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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