Tofimilast

Base Information

Chemical Name:Tofimilast
CAS No.:185954-27-2
Molecular Formula:C18H21N5S
Molecular Weight:339.465
Hs Code.:
UNII:5D7022962A
DSSTox Substance ID:DTXSID20870166
Wikidata:Q27261868
NCI Thesaurus Code:C76891
Pharos Ligand ID:JGAQMD5LL5TJ
Metabolomics Workbench ID:152797
ChEMBL ID:CHEMBL217899
Mol file:185954-27-2.mol

Synonyms:9-cyclopentyl-5,6-dihydro-7-ethyl-3-(thien-2-yl)-9H-pyrazolo(3,4-c)-1,2,4-triazolo(4,3-a)pyridine;tofimilast

Suppliers and Price of Tofimilast

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

American Custom Chemicals Corporation
TOFIMILAST 95.00%
5MG
$ 495.79

Total 2 raw suppliers

Chemical Property of Tofimilast

Chemical Property:

PSA：76.77000
LogP:4.10370
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:339.15176686
Heavy Atom Count:24
Complexity:457

Purity/Quality:

99% ^*data from raw suppliers

TOFIMILAST 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=NN(C2=C1CCN3C2=NN=C3C4=CC=CS4)C5CCCC5
Recent ClinicalTrials:A Phase 2 Study of the Safety and Efficacy of a Tofimilast in Adult Patients With Chronic Obstructive Pulmonary Disease

Technology Process of Tofimilast

There total 20 articles about Tofimilast 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:

Reference yield: 64.0%

: 5271-67-0
2-Thiophenecarbonyl chloride

: C₁₃H₂₁N₅

: 185954-27-2
Tofimilast

Guidance literature:: With pyridine; In N,N-dimethyl-formamide; Reflux;
DOI:10.1021/op010222x

Reference yield: 46.0%

: 185954-45-4
1-cyclopentyl-3-ethyl-7-thio-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine

: 5271-67-0
2-Thiophenecarbonyl chloride

: 185954-27-2
Tofimilast

Guidance literature:: 1-cyclopentyl-3-ethyl-7-thio-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine; With pyridine; hydrazine; at 70 ℃; for 0.0833333h;

2-Thiophenecarbonyl chloride; With pyridine; for 2h;

In N,N-dimethyl-formamide; for 2h; Heating;
DOI:10.1021/jm060904g