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Dimethylfraxetin

CAT: 0013-GTR19169276-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169276-02Size:5 mg
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Description
Dimethylfraxetin (6,7,8-Trimethoxycoumarin) is a potent carbonic anhydrase inhibitor with a Ki of 9.7 nM. This small molecule is a valuable research tool for studying enzyme kinetics and has been investigated in vitro for its potential pharmacological effects related to carbonic anhydrase modulation.
CAS Number
6035-49-0
Product Name Alternative
Fraxetin dimethyl ether, Inhibitor, inhibit, Dimethylfraxetin, 6,7,8-Trimethoxycoumarin, Carbonate dehydratase, Carbonic Anhydrase, CarbonicAnhydrase
Field of Research
Metabolism Research
Purity
≥95% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (16.93 mM) ; DMSO:125 mg/mL (529.17 mM)
Smiles
COc1cc2ccc (=O) oc2c (OC) c1OC
Molecular Formula
C12H12O5
Molecular Weight
236.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6,7,8-Trimethoxycoumarin

6,7,8-trimethoxy-1-benzopyran-2-one is a member of coumarins.

CAS Number6035-49-0
PubChem CID3083928
IUPAC Name6,7,8-trimethoxychromen-2-one
Molecular FormulaC12H12O5
Molecular Weight236.22
XLogP1.8
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity314
SMILES
COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)OC
InChI
InChI=1S/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H3
InChIKey
RAYQKHLZHPFYEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7,8-Trimethoxycoumarin
CAS: 6035-49-0
CID: 3083928
Formula: C12H12O5
MW: 236.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.22
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass236.06847348
Monoisotopic Mass236.06847348
Topological Polar Surface Area54 Ų
Heavy Atom Count17
Formal Charge0
Complexity314
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
112160Dimethylfraxetin
A14655-25Dimethylfraxetin 25mg
A14655-10Dimethylfraxetin 10mg
A14655-50Dimethylfraxetin 50mg
A14655-5Dimethylfraxetin 5mg
A14655-1Dimethylfraxetin 1mg
A14655-100Dimethylfraxetin 100mg
A14655-10mM-DDimethylfraxetin 10mM * 1mL in DMSO
300192Dimethylfraxetin (Di-O-methylfraxetin)

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