Emicerfont

Base Information

Chemical Name:Emicerfont
CAS No.:786701-13-1
Molecular Formula:C₂₂H₂₄N₆O₂
Molecular Weight:404.472
Hs Code.:
UNII:OJ8EG4264P
DSSTox Substance ID:DTXSID20229231
Wikipedia:Emicerfont
Wikidata:Q21098958
NCI Thesaurus Code:C174801
Pharos Ligand ID:D9L926RSQWRD
Metabolomics Workbench ID:153803
ChEMBL ID:CHEMBL514270

Synonyms:GW 876008;GW-876008;GW876008

Suppliers and Price of Emicerfont

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

Total 8 raw suppliers

Chemical Property of Emicerfont

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:404.19607403
Heavy Atom Count:30
Complexity:635

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C2CCN(C2=N1)C3=C(C=C(C=C3)OC)C)N4C=CC(=N4)N5CCNC5=O
Recent ClinicalTrials:Randomized Placebo Controlled Efficacy And Safety Study Investigating GW876008 In Patients With Irritable Bowel Syndrome
Recent EU Clinical Trials:Estudio doble ciego, aleatorizado, controlado con placebo y alprazolam, de dise?o cruzado con tres periodos y bloques incompletos, para comparar mediante Resonancia Magnética Funcional, las posibles propiedades ansiolíticas de GW876008 y GSK561679, tras la administración de una dosis única, en sujetos con trastorno de fobia social.

Technology Process of Emicerfont

There total 15 articles about Emicerfont 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: 95.0%

: 786701-13-1
Emicerfont

Guidance literature:: In methanol; n-heptane; methoxybenzene; at 20 - 80 ℃; for 2h; Purification / work up;

Reference yield: 90.0%

: 727993-70-6
4-iodo-6-methyl-1-[2-methyl-4-(methyloxy)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

: 1235407-68-7
C₈H₁₀N₄O₂

: 786701-13-1
Emicerfont

Guidance literature:: 4-iodo-6-methyl-1-[2-methyl-4-(methyloxy)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine; C₈H₁₀N₄O₂; With copper(l) iodide; dimethylaminoacetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dimethyl sulfoxide; at 25 - 110 ℃; for 7h; Inert atmosphere;

With methanol; In dimethyl sulfoxide; at 85 ℃; for 4h;
DOI:10.1021/op100147h