Drug General Information
Drug ID
D04VLI
Former ID
DNC004900
Drug Name
4-(2-Hydroxy-ethyl)-benzenesulfonamide
Synonyms
4-(2-hydroxyethyl)benzenesulfonamide
Indication Discovery agent Investigative [529948]
Structure
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2D MOL

3D MOL

Canonical SMILES
C1=CC(=CC=C1CCO)S(=O)(=O)N
InChI
1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12)
InChIKey
RYKHXKKLCRPAJP-UHFFFAOYSA-N
Target and Pathway
Target(s) Carbonic anhydrase XII Target Info Inhibitor [527407]
Carbonic anhydrase II Target Info Inhibitor [531031]
Carbonic anhydrase XIV Target Info Inhibitor [527654]
Carbonic anhydrase VI Target Info Inhibitor [529948]
Carbonic anhydrase IX Target Info Inhibitor [529948]
Carbonic anhydrase Target Info Inhibitor [529948]
KEGG Pathway Nitrogen metabolismhsa00910:Nitrogen metabolism
Proximal tubule bicarbonate reclamation
Collecting duct acid secretion
Gastric acid secretion
Pancreatic secretion
Bile secretionhsa00910:Nitrogen metabolismhsa00910:Nitrogen metabolismhsa00910:Nitrogen metabolism
NetPath Pathway TGF_beta_Receptor Signaling PathwayNetPath_16:IL4 Signaling Pathway
EGFR1 Signaling Pathway
Pathway Interaction Database HIF-1-alpha transcription factor network
Reactome Reversible hydration of carbon dioxideR-HSA-1237044:Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Reversible hydration of carbon dioxideR-HSA-1475029:Reversible hydration of carbon dioxideR-HSA-1475029:Reversible hydration of carbon dioxideR-HSA-1234158:Regulation of gene expression by Hypoxia-inducible Factor
Reversible hydration of carbon dioxide
WikiPathways Reversible Hydration of Carbon Dioxide
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in leukocytes - TarBase
miR-targeted genes in epithelium - TarBaseWP2770:Reversible Hydration of Carbon Dioxide
Uptake of Carbon Dioxide and Release of Oxygen by Erythrocytes
Uptake of Oxygen and Release of Carbon Dioxide by ErythrocytesWP2770:Reversible Hydration of Carbon DioxideWP2770:Reversible Hydration of Carbon DioxideWP2877:Vitamin D Receptor Pathway
Regulation of Hypoxia-inducible Factor (HIF) by Oxygen
References
Ref 529948J Med Chem. 2009 Feb 12;52(3):646-54.Cloning, expression, post-translational modifications and inhibition studies on the latest mammalian carbonic anhydrase isoform, CA XV.
Ref 527407Bioorg Med Chem Lett. 2005 Feb 15;15(4):963-9.Carbonic anhydrase inhibitors. Inhibition of the transmembrane isozyme XII with sulfonamides-a new target for the design of antitumor and antiglaucoma drugs?.
Ref 527654Bioorg Med Chem Lett. 2005 Sep 1;15(17):3828-33.Carbonic anhydrase inhibitors: inhibition of the transmembrane isozyme XIV with sulfonamides.
Ref 529948J Med Chem. 2009 Feb 12;52(3):646-54.Cloning, expression, post-translational modifications and inhibition studies on the latest mammalian carbonic anhydrase isoform, CA XV.
Ref 531031Bioorg Med Chem. 2010 Aug 1;18(15):5498-503. Epub 2010 Jun 22.Mutation of Phe91 to Asn in human carbonic anhydrase I unexpectedly enhanced both catalytic activity and affinity for sulfonamide inhibitors.

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