Drug Information

Drug General Information
Drug ID
D0D4OV
Former ID
DNC004962
Drug Name
Octane-1,8-diyl disulfamate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530359]
Structure
Download
2D MOL

3D MOL
Formula
C8H20N2O6S2
Canonical SMILES
C(CCCCOS(=O)(=O)N)CCCOS(=O)(=O)N
InChI
1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14)
InChIKey
IPTXSYCLIWBHBX-UHFFFAOYSA-N
PubChem Compound ID
20043772
Target and Pathway
Target(s) Carbonic anhydrase XIV Target Info Inhibitor [530359]
Carbonic anhydrase VI Target Info Inhibitor [530359]
Carbonic anhydrase IX Target Info Inhibitor [530359]
Carbonic anhydrase XII Target Info Inhibitor [530359]
Carbonic anhydrase II Target Info Inhibitor [530359]
Carbonic anhydrase Target Info Inhibitor [530359]
Carbonic anhydrase IV Target Info Inhibitor [530359]
Carbonic anhydrase I Target Info Inhibitor [530359]
KEGG Pathway Nitrogen metabolismhsa00910:Nitrogen metabolismhsa00910:Nitrogen metabolismhsa00910:Nitrogen metabolismhsa00910:Nitrogen metabolism
Proximal tubule bicarbonate reclamation
Collecting duct acid secretion
Gastric acid secretion
Pancreatic secretion
Bile secretionhsa00910:Nitrogen metabolism
Proximal tubule bicarbonate reclamationhsa00910:Nitrogen metabolism
NetPath Pathway TGF_beta_Receptor Signaling PathwayNetPath_16:IL4 Signaling Pathway
EGFR1 Signaling Pathway
Pathway Interaction Database HIF-1-alpha transcription factor networkcmyb_pathway:C-MYB transcription factor network
PathWhiz Pathway Gastric Acid Production
Reactome 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 dioxideR-HSA-1475029: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-1237044:Erythrocytes take up carbon dioxide and release oxygen
Reversible hydration of carbon dioxide
WikiPathways Reversible Hydration of Carbon DioxideWP2770:Reversible Hydration of Carbon DioxideWP2877:Vitamin D Receptor Pathway
Reversible Hydration of Carbon Dioxide
Regulation of Hypoxia-inducible Factor (HIF) by OxygenWP2770: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 Dioxide
Uptake of Oxygen and Release of Carbon Dioxide by Erythrocytes
References
Ref 530359J Med Chem. 2009 Oct 8;52(19):5990-8.Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors.
Ref 530359J Med Chem. 2009 Oct 8;52(19):5990-8.Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors.

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