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6,7-Dihydro-3-[(2-hydroxyethyl)thio]-6,6-dimethyl-1-(2-thiazolyl)-benzo[C]thiophen-4(5H)-one

Base Information
  • Chemical Name:6,7-Dihydro-3-[(2-hydroxyethyl)thio]-6,6-dimethyl-1-(2-thiazolyl)-benzo[C]thiophen-4(5H)-one
  • CAS No.:207306-50-1
  • Molecular Formula:C15H17NO2S3
  • Molecular Weight:339.503
  • Hs Code.:
  • UNII:VL2NQQ83RN
  • DSSTox Substance ID:DTXSID40426083
  • Nikkaji Number:J1.719.261B
  • Wikipedia:TB-21007
  • Wikidata:Q7669463
  • ChEMBL ID:CHEMBL17603
  • Mol file:207306-50-1.mol
6,7-Dihydro-3-[(2-hydroxyethyl)thio]-6,6-dimethyl-1-(2-thiazolyl)-benzo[C]thiophen-4(5H)-one

Synonyms:6,6-dimethyl-3-(2-hydroxyethyl)thio-1-(thiazol-2-yl)-6,7-dihydro-2-benzothiophen-4(5H)-one;6,6-dimethyl-HTDBTO

Suppliers and Price of 6,7-Dihydro-3-[(2-hydroxyethyl)thio]-6,6-dimethyl-1-(2-thiazolyl)-benzo[C]thiophen-4(5H)-one
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Usbiological
  • TB 21007
  • 10mg
  • $ 432.00
  • TRC
  • TB21007
  • 10mg
  • $ 170.00
  • TRC
  • TB21007
  • 50mg
  • $ 715.00
  • Tocris
  • TB21007 ≥99%(HPLC)
  • 50
  • $ 752.00
  • Tocris
  • TB21007 ≥99%(HPLC)
  • 10
  • $ 179.00
  • Cayman Chemical
  • TB 21007
  • 25mg
  • $ 378.00
  • Cayman Chemical
  • TB 21007
  • 10mg
  • $ 160.00
  • Cayman Chemical
  • TB 21007
  • 5mg
  • $ 89.00
  • ApexBio Technology
  • TB21007
  • 10mg
  • $ 266.00
  • AK Scientific
  • 3-(2-Hydroxyethylsulfanyl)-6,6-dimethyl-1-(1,3-thiazol-2-yl)-5,7-dihydro-2-benzothiophen-4-one
  • 10mg
  • $ 316.00
Total 4 raw suppliers
Chemical Property of 6,7-Dihydro-3-[(2-hydroxyethyl)thio]-6,6-dimethyl-1-(2-thiazolyl)-benzo[C]thiophen-4(5H)-one
Chemical Property:
  • PSA:131.97000 
  • LogP:4.11110 
  • Storage Temp.:Store at +4°C 
  • XLogP3:3.4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Rotatable Bond Count:4
  • Exact Mass:339.04214231
  • Heavy Atom Count:21
  • Complexity:404
Purity/Quality:

>98% *data from raw suppliers

TB 21007 *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1(CC2=C(SC(=C2C(=O)C1)SCCO)C3=NC=CS3)C
  • Description TB 21007 is an inverse agonist of α5β3γ2 subunit-containing GABAA receptors (Ki = 1.6 nM). It selectively inhibits α5β3γ2 subunit-containing GABAA receptors over α1-4 and α6 subunit-containing GABAA receptors that also contain β3 and γ2 subunits (Kis = 20, 16, 20, 106, and 1,800 nM, respectively). TB 21007 reduces the latency to find the hidden platform in a matching-to-place variant of the Morris water maze, indicating enhanced spatial memory, in rats when administered at a dose of 0.3 mg/kg. It reduces paw tactile allodynia induced by reserpine in a rat model of fibromyalgia-like pain when administered intrathecally at doses of 1.5, 15, and 150 nmol.
  • Uses TB 21007 is a selective GABAA α5 receptor inverse agonist which enhances cognition.
Technology Process of 6,7-Dihydro-3-[(2-hydroxyethyl)thio]-6,6-dimethyl-1-(2-thiazolyl)-benzo[C]thiophen-4(5H)-one

There total 5 articles about 6,7-Dihydro-3-[(2-hydroxyethyl)thio]-6,6-dimethyl-1-(2-thiazolyl)-benzo[C]thiophen-4(5H)-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
Multi-step reaction with 4 steps
1: 68 percent / H2S; Et3N; pyridine / 20 °C
2: 65 percent / ethanol; H2O / 18 h / Heating
3: 84 percent / m-CPBA / CH2Cl2; dioxane / 4 h / 25 °C
4: 91 percent / NaOH / ethanol / 1.5 h
With pyridine; sodium hydroxide; hydrogen sulfide; triethylamine; 3-chloro-benzenecarboperoxoic acid; In 1,4-dioxane; ethanol; dichloromethane; water;
DOI:10.1021/jm020582q
Guidance literature:
Multi-step reaction with 3 steps
1: 65 percent / ethanol; H2O / 18 h / Heating
2: 84 percent / m-CPBA / CH2Cl2; dioxane / 4 h / 25 °C
3: 91 percent / NaOH / ethanol / 1.5 h
With sodium hydroxide; 3-chloro-benzenecarboperoxoic acid; In 1,4-dioxane; ethanol; dichloromethane; water;
DOI:10.1021/jm020582q
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