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EVT0185

CAT: 0931-T212436-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T212436-02Size:50 mg
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CAS Number
2588489-03-4
Target
ATP Citrate Lyase
Related Pathways
Metabolism
Bioactivity
EVT0185 is an orally active ATP citrate lyase (ACLY) inhibitor. In the liver, it is converted by SLC27A2 into a CoA thioester, which interacts with the CoA binding site of ACLY. EVT0185-CoA inhibits ACLY activity with an IC50 of 2.5 μM. It mimics the immune and antitumor effects seen with ACLY gene deletion. Additionally, EVT0185 elevates levels of tumor-infiltrating B cells and the chemokine CXCL13. It is applicable in cancer research, including hepatocellular carcinoma (HCC) .
Smiles
O=C(O)C(C)(C)CCCCC1=CC=C(C=C1)CCCCC(C(=O)O)(C)C
Molecular Formula
C22H34O4
Molecular Weight
362.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-[4-(5-Carboxy-5-methylhexyl)phenyl]-2,2-dimethylhexanoic acid
CAS Number2588489-03-4
PubChem CID155596317
IUPAC Name6-[4-(5-carboxy-5-methylhexyl)phenyl]-2,2-dimethylhexanoic acid
Molecular FormulaC22H34O4
Molecular Weight362.5
XLogP6.2
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count26
Formal Charge0
Complexity403
SMILES
CC(C)(CCCCC1=CC=C(C=C1)CCCCC(C)(C)C(=O)O)C(=O)O
InChI
InChI=1S/C22H34O4/c1-21(2,19(23)24)15-7-5-9-17-11-13-18(14-12-17)10-6-8-16-22(3,4)20(25)26/h11-14H,5-10,15-16H2,1-4H3,(H,23,24)(H,25,26)
InChIKey
HMPYTWJWXBNCLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[4-(5-Carboxy-5-methylhexyl)phenyl]-2,2-dimethylhexanoic acid
CAS: 2588489-03-4
CID: 155596317
Formula: C22H34O4
MW: 362.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.5
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass362.24570956
Monoisotopic Mass362.24570956
Topological Polar Surface Area74.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity403
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

Alternative Products

CatalogName
GTR19264626-01EVT0185

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