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TX-2552

CAT: 0931-T89234-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T89234-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2446767-14-0
Bioactivity
TX-2552 is an orally effective inhibitor of tyrosyl-DNA phosphodiesterase 1 (TDP1), with an IC50 value of 0.62 μM. It enhances the cleavage activity of topotecan in mouse bone marrow cells and amplifies the antitumor effects of topotecan in Krebs-2 ascites tumor-bearing mice.
Smiles
O=C1C=C(C=2C(=CC(OC/C=C(/CCC=C(C)C)\C)=CC2)O1)C3=CC=C(F)C=C3
Molecular Formula
C25H25FO3
Molecular Weight
392.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-(4-fluorophenyl)chromen-2-one
CAS Number2446767-14-0
PubChem CID154699172
IUPAC Name7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-(4-fluorophenyl)chromen-2-one
Molecular FormulaC25H25FO3
Molecular Weight392.5
XLogP6.5
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity651
SMILES
CC(=CCC/C(=C/COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=C(C=C3)F)/C)C
InChI
InChI=1S/C25H25FO3/c1-17(2)5-4-6-18(3)13-14-28-21-11-12-22-23(16-25(27)29-24(22)15-21)19-7-9-20(26)10-8-19/h5,7-13,15-16H,4,6,14H2,1-3H3/b18-13+
InChIKey
ZYLGAPYUNVKATB-QGOAFFKASA-N
Chemical Structure
2D Structure
2D structure of 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-(4-fluorophenyl)chromen-2-one
CAS: 2446767-14-0
CID: 154699172
Formula: C25H25FO3
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass392.17877282
Monoisotopic Mass392.17877282
Topological Polar Surface Area35.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity651
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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