Drug General Information
Drug ID
D0Z4QX
Former ID
DNC007070
Drug Name
2-methoxyestradiol 3,17-O,O-bis-sulfamate
Synonyms
2-methoxyestradiol-3,17-O,O-bis-sulfamate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528582]
Structure
Download
2D MOL

3D MOL

Formula
C19H28N2O7S2
Canonical SMILES
CC12CCC3C(C1CCC2OS(=O)(=O)N)CCC4=CC(=C(C=C34)OC)OS(=O)(<br />=O)N
InChI
1S/C19H28N2O7S2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(21,24)25)4-3-11-9-17(27-29(20,22)23)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t12-,13+,15-,18-,19-/m0/s1
InChIKey
AQSNIXKAKUZPSI-SSTWWWIQSA-N
PubChem Compound ID
Target and Pathway
Target(s) Steryl-sulfatase Target Info Inhibitor [528582]
Carbonic anhydrase II Target Info Inhibitor [529303]
KEGG Pathway Steroid hormone biosynthesishsa00910:Nitrogen metabolism
Proximal tubule bicarbonate reclamation
Collecting duct acid secretion
Gastric acid secretion
Pancreatic secretion
Bile secretion
NetPath Pathway IL4 Signaling Pathway
EGFR1 Signaling Pathway
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Glycosphingolipid metabolismR-HSA-1237044:Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Reversible hydration of carbon dioxide
WikiPathways Estrogen metabolism
Vitamin D Receptor Pathway
Sphingolipid metabolismWP2770:Reversible Hydration of Carbon Dioxide
Uptake of Carbon Dioxide and Release of Oxygen by Erythrocytes
Uptake of Oxygen and Release of Carbon Dioxide by Erythrocytes
References
Ref 528582J Med Chem. 2006 Dec 28;49(26):7683-96.2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity.
Ref 528582J Med Chem. 2006 Dec 28;49(26):7683-96.2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity.
Ref 529303J Med Chem. 2008 Mar 13;51(5):1295-308. Epub 2008 Feb 9.Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents.

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