SAR125844

Base Information

• Chemical Name: SAR125844
• CAS No.: 1116743-46-4
• Molecular Formula: C25H23FN8O2S2
• Molecular Weight: 550.64
• Mol file: 1116743-46-4.mol

Synonyms:SAR125884;SAR125844;SAR125844 /SAR-125844;SAR125844; SAR 125844; SAR-125844;SAR125884 hydrochlorid (1116743-46-4(free base));1-(6-((6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)benzo[d]thiazol-2-yl)-3-(2-morpholinoethyl)urea;Urea, N-[6-[[6-(4-fluorophenyl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]thio]-2-benzothiazolyl]-N'-[2-(4-morpholinyl)ethyl]-;1-[6-[[6-(4-Fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-yl]-3-[2-(morpholin-4-yl)ethyl]urea

Chemical Property of SAR125844

Chemical Property:

• PSA: 163.11000
• LogP: 4.54680

Purity/Quality:

99%+, ^*data from raw suppliers

SAR125844 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of SAR125844

There total 5 articles about SAR125844 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: 22.0%

3-chloro-6-(4-fluorophenyl)-1,2,4-triazolo[4,3-b]pyridazine (1116743-29-3) + 1-(2-morpholin-4-ylethyl)-3-(6-sulphanyl-1,3-benzothiazol-2-yl)urea (1116743-47-5) → 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulphanyl}-1,3-benzothiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea (1116743-46-4)

Guidance literature:

With sodium tetrahydroborate; triethylamine; In N,N-dimethyl-formamide; at 20 - 95 ℃; for 4h;

DOI:10.1021/acs.jmedchem.6b00280

Reference yield:

2-amino-6-thiocyanatobenzothiazole (7170-77-6) → 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulphanyl}-1,3-benzothiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea (1116743-46-4)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium hydrogencarbonate / tetrahydrofuran; water / 20 h / 20 °C

2: tetrahydrofuran / 24 h / 20 °C

3: potassium dihydrogenphosphate; 1,4-dithio-D,L-threitol / water; ethanol / 16 h / 20 °C / Inert atmosphere

4: triethylamine; sodium tetrahydroborate / N,N-dimethyl-formamide / 4 h / 20 - 95 °C

With sodium tetrahydroborate; potassium dihydrogenphosphate; 1,4-dithio-D,L-threitol; sodium hydrogencarbonate; triethylamine; In tetrahydrofuran; ethanol; water; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.6b00280

Reference yield:

(6-thiocyanato-1,3-benzothiazol-2-yl)carbamate phenyl ester (1116743-49-7) → 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulphanyl}-1,3-benzothiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea (1116743-46-4)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrahydrofuran / 24 h / 20 °C

2: potassium dihydrogenphosphate; 1,4-dithio-D,L-threitol / water; ethanol / 16 h / 20 °C / Inert atmosphere

3: triethylamine; sodium tetrahydroborate / N,N-dimethyl-formamide / 4 h / 20 - 95 °C

With sodium tetrahydroborate; potassium dihydrogenphosphate; 1,4-dithio-D,L-threitol; triethylamine; In tetrahydrofuran; ethanol; water; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.6b00280

upstream raw materials:

2-amino-6-thiocyanatobenzothiazole

(6-thiocyanato-1,3-benzothiazol-2-yl)carbamate phenyl ester

2-{[(2-morpholin-4-ylethyl)carbamoyl]amino}-1,3-benzothiazol-6-yl thiocyanate

3-chloro-6-(4-fluorophenyl)-1,2,4-triazolo[4,3-b]pyridazine

Downstream raw materials:

1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulphanyl}-1,3-benzothiazol-2-yl)-3-[2-(4-oxidomorpholin-4-yl)ethyl]urea

1-(6-{[6-(4-fluorophenyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulphanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea

Refernces

• 1、 -. "NOVEL 6-TRIAZOLOPYRIDAZINESULFANYL BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND APPLICATION AS MEDICAMENTS AND PHARMNACEUTICAL COMPOSITIONS AND NOVEL USE AS MET INHIBITORS". Page/Page column 25. . Retrieved 2010/12/29.