Drug Information

Drug General Information
Drug ID
D0F9MQ
Former ID
DNC006208
Drug Name
N-(2-hexyloxy-4-nitrophenyl)methanesulfonamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528035]
Structure
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2D MOL

3D MOL
Formula
C13H20N2O5S
Canonical SMILES
CCCCCCOC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C
InChI
1S/C13H20N2O5S/c1-3-4-5-6-9-20-13-10-11(15(16)17)7-8-12(13)14-21(2,18)19/h7-8,10,14H,3-6,9H2,1-2H3
InChIKey
ZYLWBHCVEZSQJB-UHFFFAOYSA-N
PubChem Compound ID
11493409
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [528035]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Endogenous sterols
WikiPathways Metapathway biotransformation
Tryptophan metabolism
Oxidation by Cytochrome P450
Ovarian Infertility Genes
Metabolism of steroid hormones and vitamin D
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compounds
References
Ref 528035J Med Chem. 2006 Feb 23;49(4):1413-9.Novel sulfonanilide analogues suppress aromatase expression and activity in breast cancer cells independent of COX-2 inhibition.
Ref 528035J Med Chem. 2006 Feb 23;49(4):1413-9.Novel sulfonanilide analogues suppress aromatase expression and activity in breast cancer cells independent of COX-2 inhibition.

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