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1,4-DPCA

CAT: 0931-T21653-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T21653-07Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
331830-20-7
Target
HIF/HIF Prolyl-Hydroxylase
Related Pathways
Metabolism, Chromatin/Epigenetic
Purity
0.9777
Bioactivity
1,4-DPCA is an inhibitor of prolyl-hydroxylase with an IC50 of 2.4 μM for collagen hydroxylation in human foreskin fibroblasts and 60 μM for factor inhibiting HIF (FIH) .
Smiles
OC(=O)C1=CN=C2C(C=Cc3cccnc23)C1=O
Molecular Formula
C13H8N2O3
Molecular Weight
240.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AC1LA18U
CAS Number331830-20-7
PubChem CID459803
IUPAC Name4-oxo-1H-1,10-phenanthroline-3-carboxylic acid
Molecular FormulaC13H8N2O3
Molecular Weight240.21
XLogP2.1
Topological Polar Surface Area79.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity418
SMILES
C1=CC2=C(C3=C(C=C2)C(=O)C(=CN3)C(=O)O)N=C1
InChI
InChI=1S/C13H8N2O3/c16-12-8-4-3-7-2-1-5-14-10(7)11(8)15-6-9(12)13(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKey
XZZHOJONZJQARN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AC1LA18U
CAS: 331830-20-7
CID: 459803
Formula: C13H8N2O3
MW: 240.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.21
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass240.05349212
Monoisotopic Mass240.05349212
Topological Polar Surface Area79.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity418
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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CatalogName
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HY-137239-011,4-DPCA ethyl ester
TBI2956-25MG1,4-DPCA, Prolyl hydroxylase inhibitor
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