73778-95-7

Basic information

• Product Name: 5-amino-6-methoxy-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one(SALTDATA: 1HCl 1.3H2O)
• Synonyms: 5-amino-6-methoxy-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one(SALTDATA: 1HCl 1.3H2O);5-amino-6-methoxy-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one(
• CAS NO: 73778-95-7
• Molecular Formula: C10H13N3O2
• Molecular Weight: 207.22912
• Mol File: 73778-95-7.mol

Chemical Properties

• Boiling Point: 379.0±35.0 °C(Predicted)
• Appearance: /
• Density: 1.268±0.06 g/cm3(Predicted)
• PKA: 5.81±0.20(Predicted)
• CAS DataBase Reference: 5-amino-6-methoxy-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one(SALTDATA: 1HCl 1.3H2O)(CAS DataBase Reference)
• NIST Chemistry Reference: 5-amino-6-methoxy-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one(SALTDATA: 1HCl 1.3H2O)(73778-95-7)
• EPA Substance Registry System: 5-amino-6-methoxy-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one(SALTDATA: 1HCl 1.3H2O)(73778-95-7)

Safety Data

• Hazardous Substances Data: 73778-95-7(Hazardous Substances Data)

Relevant articles and documents

Lead identification of benzimidazolone and azabenzimidazolone arylsulfonamides as CC-chemokine receptor 4 (CCR4) antagonists

A knowledge-based library of 2,3-dichlorophenylsulfonyl derivatives of commercially available aryl amines was synthesised and screened as human CCR4 antagonists, in order to identify a suitable hit for the start of a lead-optimisation programme. Hits were required to be more potent than an existing indazole series, have better physicochemical properties (c log P 7.4 116 μg/mL), and be stable to acid and light. The benzimidazol-2-one core was identified as a hit suitable for further investigation. Substitution at N1 with small alkyl groups was tolerated; however, these analogues were inactive in the whole blood assay (pA2 7.4 (2.4), high LE (0.43), and solubility (152 μg/mL). In addition, 38 had human serum albumin binding of around 93% and met all the criteria for progression to lead optimisation.