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Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 9-(dimethylamino)-3-(hexahydro-1H-azepin-1-yl)-

Base Information
  • Chemical Name:Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 9-(dimethylamino)-3-(hexahydro-1H-azepin-1-yl)-
  • CAS No.:869802-58-4
  • Molecular Formula:C17H21N5OS
  • Molecular Weight:343.453
  • Hs Code.:
  • UNII:U8C5C9D65S
  • ChEMBL ID:CHEMBL386565
  • DSSTox Substance ID:DTXSID10236030
  • Pharos Ligand ID:F26P4KBD1DZL
  • Wikidata:Q27074087
  • Mol file:869802-58-4.mol
Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 9-(dimethylamino)-3-(hexahydro-1H-azepin-1-yl)-

Synonyms:9-dimethylamino-3-(N-hexamethyleneiminyl)-3H-5-thia-1,3,6-triazafluoren-4-one;A-841720

Suppliers and Price of Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 9-(dimethylamino)-3-(hexahydro-1H-azepin-1-yl)-
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
  • A 841720
  • 10mg
  • $ 466.00
  • TRC
  • A841720
  • 10mg
  • $ 150.00
  • Sigma-Aldrich
  • A-841720 ≥98% (HPLC)
  • 25mg
  • $ 392.00
  • Sigma-Aldrich
  • A-841720 ≥98% (HPLC)
  • 5mg
  • $ 100.00
  • Cayman Chemical
  • A-841720 ≥98%
  • 5mg
  • $ 96.00
  • Cayman Chemical
  • A-841720 ≥98%
  • 1mg
  • $ 28.00
  • Cayman Chemical
  • A-841720 ≥98%
  • 10mg
  • $ 136.00
  • ApexBio Technology
  • A841720
  • 10mg
  • $ 173.00
  • ApexBio Technology
  • A841720
  • 5mg
  • $ 123.00
  • American Custom Chemicals Corporation
  • A 841720 95.00%
  • 5MG
  • $ 503.38
Total 7 raw suppliers
Chemical Property of Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 9-(dimethylamino)-3-(hexahydro-1H-azepin-1-yl)-
Chemical Property:
  • Boiling Point:539.9±60.0 °C(Predicted) 
  • PKA:9.90±0.20(Predicted) 
  • PSA:82.50000 
  • Density:1.40±0.1 g/cm3(Predicted) 
  • LogP:2.64920 
  • Storage Temp.:Store at RT 
  • Solubility.:DMSO: soluble15mg/mL, clear 
  • XLogP3:3.1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Rotatable Bond Count:2
  • Exact Mass:343.14668148
  • Heavy Atom Count:24
  • Complexity:505
Purity/Quality:

99% *data from raw suppliers

A 841720 *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:
Useful:
  • Canonical SMILES:CN(C)C1=C2C3=C(C(=O)N(C=N3)N4CCCCCC4)SC2=NC=C1
  • Uses A 841720 is a potent & non-competitive mGluR-1 antagonist.
Technology Process of Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 9-(dimethylamino)-3-(hexahydro-1H-azepin-1-yl)-

There total 6 articles about Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 9-(dimethylamino)-3-(hexahydro-1H-azepin-1-yl)- 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 2 steps
1: 99 percent / 5 h / Heating
2: 45 percent / p-TsOH / toluene
With toluene-4-sulfonic acid; In toluene;
DOI:10.1016/j.bmcl.2006.06.053
Guidance literature:
Multi-step reaction with 5 steps
1.1: 93 percent / 1.33 h / 100 °C
2.1: 98 percent / HCl(gas) / methanol / 10 h / 0 °C
3.1: NaH / tetrahydrofuran / 0 °C
3.2: tetrahydrofuran / 24 h / 20 °C
3.3: 85 percent / NaH / tetrahydrofuran / 1.83 h / Heating
4.1: 99 percent / ethanol / 4.5 h / Heating
5.1: 45 percent / p-toluenesulfonic acid / toluene / 130 °C
With hydrogenchloride; sodium hydride; toluene-4-sulfonic acid; In tetrahydrofuran; methanol; ethanol; toluene;
DOI:10.1021/jm0504407
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