Cenicriviroc mesylate

Base Information

Chemical Name:Cenicriviroc mesylate
CAS No.:497223-28-6
Molecular Formula:CH₄O₃S*C₄₁H₅₂N₄O₄S
Molecular Weight:793.061
Hs Code.:
European Community (EC) Number:824-584-9
UNII:R96TV84T21
ChEMBL ID:CHEMBL2105686
NCI Thesaurus Code:C169838
Wikidata:Q27287993

Synonyms:(-)-8-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-n-(4-(((1-propyl-1H-imidazol-5-yl)methyl)sulfinyl)phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide;8-(4-(2-butoxyethoxy)phenyl)-1,2,3,4-tetrahydro-1-(2-methylpropyl)-N-(4-((S)-((1-propyl-1H-imidazol-5-yl)methyl)sulfinyl)phenyl)-1-benzazocine-5-carboxamide;cenicriviroc;TAK 652;TAK-652;TBR 652;TBR-652;TBR652

Suppliers and Price of Cenicriviroc mesylate

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 Cenicriviroc mesylate

Chemical Property:

Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:17
Exact Mass:792.35904249
Heavy Atom Count:55
Complexity:1150

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCCC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)CC5=CN=CN5CCC)CC(C)C.CS(=O)(=O)O
Isomeric SMILES:CCCCOCCOC1=CC=C(C=C1)C2=CC/3=C(C=C2)N(CCC/C(=C3)/C(=O)NC4=CC=C(C=C4)[S@@](=O)CC5=CN=CN5CCC)CC(C)C.CS(=O)(=O)O
Recent ClinicalTrials:Study to Evaluate the Effects of Cenicriviroc Mesylate on Arterial Inflammation in People Living With HIV
Recent EU Clinical Trials:Charité trial of Cenicriviroc (CVC) treatment for COVID-19 patients

Technology Process of Cenicriviroc mesylate

There total 16 articles about Cenicriviroc mesylate 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: 78.0%

: 497223-38-8
(S)-4-{[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenylamine

: 75-75-2,98527-29-8
methanesulfonic acid

: 8-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxylic acid

: 497223-28-6
(S)-8-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-N-(4-(((1-propyl-1H-imidazol-5-yl)methyl)sulfinyl)phenyl)-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxamide methanesulfonate

Guidance literature:: 8-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxylic acid; With thionyl chloride; In dichloromethane; at 10 - 15 ℃; for 3h; Large scale;

(S)-4-{[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenylamine; With pyridine; In dichloromethane; at 0 ℃; for 5h; Large scale;

methanesulfonic acid; In acetonitrile; Large scale;

Reference yield:

: 75-75-2,98527-29-8
methanesulfonic acid

: (S)-8-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-N-(4-(((1-propyl-1H-imidazol-5-yl)methyl)sulfinyl)phenyl)-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxamide

: 497223-28-6
(S)-8-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-N-(4-(((1-propyl-1H-imidazol-5-yl)methyl)sulfinyl)phenyl)-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxamide methanesulfonate

Guidance literature:: In ethyl acetate; acetonitrile; at 20 ℃; for 0.5h; Large scale;

Reference yield:

: 39255-24-8
1-bromo-4-[2-(butoxy)ethoxy]benzene

: 497223-28-6
(S)-8-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-N-(4-(((1-propyl-1H-imidazol-5-yl)methyl)sulfinyl)phenyl)-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxamide methanesulfonate

Guidance literature:: Multi-step reaction with 5 steps

1.1: magnesium / tetrahydrofuran / 7 h / 55 - 66 °C

1.2: 4 h / -25 - 20 °C

2.1: potassium carbonate; palladium diacetate; tris-(o-tolyl)phosphine / tetrahydrofuran; water / 4 h / 65 °C / Inert atmosphere

3.1: thionyl chloride / dichloromethane / 3 h / 10 - 15 °C

4.1: pyridine / dichloromethane / 5 h / 0 °C

5.1: acetonitrile; ethyl acetate / 0.5 h / 20 °C / Large scale

With pyridine; thionyl chloride; palladium diacetate; potassium carbonate; magnesium; tris-(o-tolyl)phosphine; In tetrahydrofuran; dichloromethane; water; ethyl acetate; acetonitrile; 2.1: |Suzuki Coupling;