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DHNA

CAT: 0931-T211287-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T211287-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117255-85-3
Target
Dehydrogenase
Related Pathways
Metabolism
Bioactivity
DHNA (KIS20) is an inhibitor of PDH kinase 4 (PDK4) with an IC50 of 18 μM, and is utilized in heart failure research.
Smiles
O=C(O)C=1C=CC=2C(O)=CC=C(O)C2C1
Molecular Formula
C11H8O4
Molecular Weight
204.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,4-Dihydroxy-6-naphthoic acid

1,4-dihydroxy-6-naphthoic acid is a naphthalenediol that is naphthalene-1,4-diol bering a carboxy substituent at position 6. It is a member of naphthalenediols, a monocarboxylic acid and a naphthohydroquinone. It is a conjugate acid of a 1,4-dihydroxy-6-naphthoate.

CAS Number117255-85-3
PubChem CID14278030
IUPAC Name5,8-dihydroxynaphthalene-2-carboxylic acid
Molecular FormulaC11H8O4
Molecular Weight204.18
XLogP2
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity253
SMILES
C1=CC2=C(C=CC(=C2C=C1C(=O)O)O)O
InChI
InChI=1S/C11H8O4/c12-9-3-4-10(13)8-5-6(11(14)15)1-2-7(8)9/h1-5,12-13H,(H,14,15)
InChIKey
HVZYIHBMRFYBRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Dihydroxy-6-naphthoic acid
CAS: 117255-85-3
CID: 14278030
Formula: C11H8O4
MW: 204.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.18
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass204.04225873
Monoisotopic Mass204.04225873
Topological Polar Surface Area77.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity253
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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