Selumetinib Sulfate

Base Information

• Chemical Name: Selumetinib Sulfate
• CAS No.: 943332-08-9
• Molecular Formula: C17H17BrClFN4O7S
• Molecular Weight: 555.76
• European Community (EC) Number: 642-432-8
• UNII: 807ME4B7IJ
• ChEMBL ID: CHEMBL2105684
• DSSTox Substance ID: DTXSID40241430
• NCI Thesaurus Code: C95225
• Wikidata: Q27269126
• Mol file: 943332-08-9.mol

Synonyms:Selumetinib sulfate;943332-08-9;AZD-6244 hydrogen sulfate;Selumetinib sulphate;AZD-6244 Hyd-Sulfate;AZD6244 HYDROGEN SULFATE;Selumetinib sulfate [USAN];UNII-807ME4B7IJ;Selumetinib (sulfate);807ME4B7IJ;Azd6244 hydrogen sulphate;Azd-6244 hydrogen sulphate;AZD6244 HYD-SULFATE;5-((4-Bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzo[d]imidazole-6-carboxamide sulfate;DTXSID40241430;Koselugo;NSC-748727;6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide;sulfuric acid;1H-Benzimidazole-6-carboxamide, 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-N-(2- hydroxyethoxy)-1-methyl-, sulfate (1:1);5-((4-Bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H- benzimidazole-6-carboxamide sulfate;Koselugo (TN);AZD6244 Hyd-Sulf;ARRY-886 hydrogen sulfate;SCHEMBL2354340;CHEMBL2105684;Selumetinib sulfate (JAN/USAN);ARRY-142886 hydrogen sulfate;DTXCID40163921;SELUMETINIB SULFATE [JAN];GRKFGZYYYYISDX-UHFFFAOYSA-N;HY-50706A;NSC748727;SELUMETINIB SULFATE [WHO-DD];ZB0746;SB14708;SELUMETINIB SULFATE [ORANGE BOOK];AC-29724;MS-30133;CS-0024687;D10024;Q27269126;1H-BENZIMIDAZOLE-6-CARBOXAMIDE, 5-((4-BROMO-2-CHLOROPHENYL)AMINO)-4-FLUORO-N-(2- HYDROXYETHOXY)-1-METHYL-, SULPHATE (1:1);1H-Benzimidazole-6-Carboxamide, 5-((4-Bromo-2-Chlorophenyl)Amino)-4-Fluoro-N-(2-Hydroxyethoxy)-1-Methyl-, Sulfate (1:1);1H-BENZIMIDAZOLE-6-CARBOXAMIDE, 5-((4-BROMO-2-CHLOROPHENYL)AMINO)-4-FLUORO-N-(2-HYDROXYETHOXY)-1-METHYL-, SULPHATE (1:1);1h-Benzimidazole-6-Carboxamide,5-((4-Bromo-2-Chlorophenyl)Amino)-4-Fluoro-N-(2-Hydroxyethoxy)-1-Methyl-, Sulphate (1:1);5-((4-BROMO-2-CHLOROPHENYL)AMINO)-4-FLUORO-N-(2-HYDROXYETHOXY)-1-METHYL-1H- BENZIMIDAZOLE-6-CARBOXAMIDE SULPHATE;5-((4-Bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide monosulfate;5-((4-Bromo-2-Chlorophenyl)amino)-4-Fluoro-N-(2-Hydroxyethoxy)-1-Methyl-1H-Benzimidazole-6-Carboxamide Sulfate;5-((4-Bromo-2-Chlorophenyl)amino)-4-Fluoro-N-(2-Hydroxyethoxy)-1-Methyl-1H-Benzimidazole-6-Carboxamide Sulphate;6-(4-Bromo-2-chlorophenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxy-ethoxy)-amide hydrogen sulfate;6-(4-bromo-2-chlorophenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxyethoxy)-amide hydrogen sulfate;6-(4-bromo-2-chlorophenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid(2-hydroxyethoxy)-amide hydrogen sulfate

Chemical Property of Selumetinib Sulfate

Chemical Property:

• PSA: 174.88000
• LogP: 4.60140
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 553.96739
• Heavy Atom Count: 32
• Complexity: 604

Purity/Quality:

97% ^*data from raw suppliers

5-((4-Bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzo[d]imidazole-6-carboxamidesulfate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO.OS(=O)(=O)O
• Recent ClinicalTrials: Targeted Therapy Directed by Genetic Testing in Treating Pediatric Patients With Relapsed or Refractory Advanced Solid Tumors, Non-Hodgkin Lymphomas, or Histiocytic Disorders (The Pediatric MATCH Screening Trial)
• Recent EU Clinical Trials: A Phase I/II, Single-Arm, Open label Study to Evaluate the Pharmacokinetics, Safety/Tolerability and Efficacy of the Selumetinib Granule Formulation in Children Aged ≥ 1 to < 7 Years with Neurofibromatosis Type 1 (NF1) Related Symptomatic, Inoperable Plexiform Neurofibromas (PN) (SPRINKLE)

Technology Process of Selumetinib Sulfate

There total 1 articles about Selumetinib Sulfate 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: 90.0%

selumetinib (606143-52-6) + sulfuric acid (7664-93-9) → 6-(4-bromo-2-chlorophenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxyethoxy)amide hydrogen sulphate (943332-08-9)

Guidance literature:

In water; butanone; at 0 - 65 ℃; for 0.5h; Product distribution / selectivity;

upstream raw materials:

selumetinib

sulfuric acid