Drug Information

Drug General Information
Drug ID
D0H1VB
Former ID
DNC014743
Drug Name
5-tert-Butyl-2-(4-ethynyl-phenyl)-[1,3]dithiane
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533668]
Structure
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2D MOL

3D MOL
Formula
C16H20S2
Canonical SMILES
CC(C)(C)C1CSC(SC1)C2=CC=C(C=C2)C#C
InChI
1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3
InChIKey
HKLYPSSDHPAOJM-UHFFFAOYSA-N
PubChem Compound ID
22421021
Target and Pathway
Target(s) Gamma-aminobutyric acid receptor Target Info Inhibitor [533668]
References
Ref 533668J Med Chem. 1995 Jul 7;38(14):2663-71.Synthesis of carbon-11-, fluorine-18-, and iodine-125-labeled GABAA-gated chloride ion channel blockers: substituted 5-tert-butyl-2-phenyl-1,3-dithianes and -dithiane oxides.
Ref 533668J Med Chem. 1995 Jul 7;38(14):2663-71.Synthesis of carbon-11-, fluorine-18-, and iodine-125-labeled GABAA-gated chloride ion channel blockers: substituted 5-tert-butyl-2-phenyl-1,3-dithianes and -dithiane oxides.

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