8.20122

Benzamidine hydrochloride hydrate

for synthesis

• Sinônimo(s): Benzamidine hydrochloride hydrate
• Fórmula empírica (Notação de Hill): C₇H₈N₂ · xHCl · yH₂O
• Número CAS: 206752-36-5
• Peso molecular: 120.15 (anhydrous free base basis)
• Número MDL: MFCD00066285
• Código UNSPSC: 12352107
• Número do índice EC: 216-795-4
• NACRES: NA.22

Propriedades

• Nível de qualidade: 200
• Ensaio: ≥98.5% (HPLC)
• Formulário: powder
• pH: 5 (20 °C, 50 g/L in H₂O)
• pf: 80-84 °C
• temperatura de armazenamento: 2-30°C
• cadeia de caracteres SMILES: [N+H3]\C(=N\[H])\c1ccccc1
• InChI: 1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1
• chave InChI: PXXJHWLDUBFPOL-UHFFFAOYSA-O

Descrição

Aplicação

• Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.: This study investigates the interaction of benzamidine hydrochloride hydrate as a serine protease inhibitor, focusing on its binding mechanism in the presence of water molecules. Utilizing neutron crystallography, the research provides insights into the dynamic role of water in enhancing the binding affinity and stability of the inhibitor to trypsin. This understanding is crucial for the design of more effective protease inhibitors in pharmaceutical applications (Schiebel et al., 2018).

Nota de análise

Assay (HPLC, area%): ≥ 98.5 % (a/a)
Water (K. F.): 7.0 - 13.0 %
Identity (IR): passes test

Informações de segurança

• Código de classe de armazenamento: 11 - Combustible Solids
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): Not applicable
• Ponto de fulgor (°C): Not applicable