Nepicastat

Base Information

Chemical Name:Nepicastat
CAS No.:173997-05-2
Molecular Formula:C14H16F2N3S
Molecular Weight:296.358746 g/mol
Hs Code.:2934999090
UNII:VPG12K4540
DSSTox Substance ID:DTXSID80169740
Nikkaji Number:J865.497B
Wikipedia:Nepicastat
Wikidata:Q6593941
NCI Thesaurus Code:C84003
Pharos Ligand ID:QPALCZPT2589
Metabolomics Workbench ID:153861
ChEMBL ID:CHEMBL1188395
Mol file:173997-05-2.mol

Synonyms:5-aminomethyl-1-(5,7-difluoro-1,2,3,4-tetrahydronaphth-2-yl)-1,3-dihydroimidazole-2-thione;nepicastat;RS 25560-197;RS-25560-197

Suppliers and Price of Nepicastat

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
Nepicastat
100mg
$ 1890.00

Matrix Scientific
(S)-5-(Aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1H-imidazole-2(3H)-thione 95+%
250mg
$ 5670.00

DC Chemicals
Nepicastat >98%
250 mg
$ 950.00

Crysdot
Nepicastat 98+%
50mg
$ 980.00

Chemenu
(S)-5-(Aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1H-imidazole-2(3H)-thione 98%
50mg
$ 468.00

Biosynth Carbosynth
Nepicastat
50 mg
$ 507.50

Biosynth Carbosynth
Nepicastat
10 mg
$ 145.00

Biorbyt Ltd
Nepicastat
100 mg
$ 414.80

Biorbyt Ltd
Nepicastat
250 mg
$ 615.40

Biorbyt Ltd
Nepicastat
1 g
$ 1208.70

Total 73 raw suppliers

Chemical Property of Nepicastat

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.665
Boiling Point:401.832 °C at 760 mmHg
Flash Point:196.821 °C
PSA：78.83000
Density:1.41 g/cm³
LogP:3.71290
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:295.09547499
Heavy Atom Count:20
Complexity:429

Purity/Quality:

97% ^*data from raw suppliers

Nepicastat ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2=C(CC1N3C(=CNC3=S)CN)C=C(C=C2F)F
Isomeric SMILES:C1CC2=C(C[C@H]1N3C(=CNC3=S)CN)C=C(C=C2F)F
Recent ClinicalTrials:Pharmacogenetic Clinical Trial of Nepicastat for Post Traumatic Stress Disorder (PTSD)
Uses Treatment of congestive heart failure (dopamine β-hydroxylase inhibitor).

Technology Process of Nepicastat

There total 3 articles about Nepicastat 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: 58.0%