Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0H1VB
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| Former ID |
DNC014743
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| Drug Name |
5-tert-Butyl-2-(4-ethynyl-phenyl)-[1,3]dithiane
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| Synonyms |
120076-03-1; 1,3-Dithiane, 5-(1,1-dimethylethyl)-2-(4-ethynylphenyl)-, trans-; ACMC-20mopv; CHEMBL90399; SCHEMBL8950548; CTK0F9221; DTXSID40625630; HKLYPSSDHPAOJM-UHFFFAOYSA-N; 2-(4-ethynylphenyl)-5-t-butyl-1,3-dithiane; 5-tert-Butyl-2-(4-ethynylphenyl)-1,3-dithiane
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C16H20S2
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| Canonical SMILES |
CC(C)(C)C1CSC(SC1)C2=CC=C(C=C2)C#C
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| 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
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| InChIKey |
HKLYPSSDHPAOJM-UHFFFAOYSA-N
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| CAS Number |
CAS 120076-03-1
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Gamma-aminobutyric acid receptor (GAR) | Target Info | Inhibitor | [1] |
| References | Top | |||
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| REF 1 | Synthesis of carbon-11-, fluorine-18-, and iodine-125-labeled GABAA-gated chloride ion channel blockers: substituted 5-tert-butyl-2-phenyl-1,3-dith... J Med Chem. 1995 Jul 7;38(14):2663-71. | |||
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