Products for Research Use Only
RegisterLogin

Entacapone acid

CAT: 0013-GTR19174931-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19174931-02Size:1 ml x 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Entacapone acid (AG 1290) is a reversible and selective catechol-O-methyltransferase (COMT) inhibitor. It is used in research to study catecholamine metabolism and has applications in both in vitro enzyme assays and in vivo models of Parkinson's disease.
CAS Number
160391-70-8
Product Name Alternative
Entacapone acid, AG 1290, AG1290, AG-1290, COMT
Field of Research
Metabolism Research, Pharmacology & Drug Discovery, Signal Transduction
Purity
98.86% (May vary between batches)
Solubility
DMSO:55 mg/mL (219.86 mM)
Smiles
OC (=O) C (=C\c1cc (O) c (O) c (c1) [N+] ([O-]) =O) \C#N
Molecular Formula
C10H6N2O6
Molecular Weight
250.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Entacapone acid
CAS Number160391-70-8
PubChem CID23189849
IUPAC Name(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoic acid
Molecular FormulaC10H6N2O6
Molecular Weight250.16
XLogP1.1
Topological Polar Surface Area147
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity431
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])O)O)/C=C(\C#N)/C(=O)O
InChI
InChI=1S/C10H6N2O6/c11-4-6(10(15)16)1-5-2-7(12(17)18)9(14)8(13)3-5/h1-3,13-14H,(H,15,16)/b6-1+
InChIKey
XDDDOLQEZBJWFZ-LZCJLJQNSA-N
Chemical Structure
2D Structure
2D structure of Entacapone acid
CAS: 160391-70-8
CID: 23189849
Formula: C10H6N2O6
MW: 250.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.16
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass250.02258592
Monoisotopic Mass250.02258592
Topological Polar Surface Area147 Ų
Heavy Atom Count18
Formal Charge0
Complexity431
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

Related Products

CatalogName
GTR19153380-01Entacapone
GTR19172875-01Entacapone
GTR19163884-01Entacapone
GTR19337326-01Entacapone Antibody
GTR19209466Cis-Entacapone
GTR19205934-01Entacapone sodium salt
GTR19154372-01Koningic acid (Heptelidic acid)
GTR19350542-01Acid Red 186 free acid
GTR19215994-01Acid-PEG2-SS-PEG2-acid
GTR19226787-01Acid-PEG3-SS-PEG3-acid

Alternative Products

CatalogName
HY-125350Entacapone acid
E3225-55Entacapone

Popular Products