887138-63-8

Basic information

• Product Name: 2-(2,4-Difluoro-phenyl)-1-[(4-iodo-benzyl)-methyl-amino]-3-[1,2,4]triazol-1-yl-propan-2-ol
• Synonyms: 2-(2,4-Difluoro-phenyl)-1-[(4-iodo-benzyl)-methyl-amino]-3-[1,2,4]triazol-1-yl-propan-2-ol;Iodiconazole
• CAS NO: 887138-63-8
• Molecular Formula: C19H19F2IN4O
• Molecular Weight: 484.2816364
• EINECS: -0
• Mol File: 887138-63-8.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-(2,4-Difluoro-phenyl)-1-[(4-iodo-benzyl)-methyl-amino]-3-[1,2,4]triazol-1-yl-propan-2-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2,4-Difluoro-phenyl)-1-[(4-iodo-benzyl)-methyl-amino]-3-[1,2,4]triazol-1-yl-propan-2-ol(887138-63-8)
• EPA Substance Registry System: 2-(2,4-Difluoro-phenyl)-1-[(4-iodo-benzyl)-methyl-amino]-3-[1,2,4]triazol-1-yl-propan-2-ol(887138-63-8)

Safety Data

• Hazardous Substances Data: 887138-63-8(Hazardous Substances Data)

Upstream product

• 261959-40-4 1-(1H-1,2,4-triazole-1-yl)-2-(2,4-difuorophenyl)-3-(N-methylamino)-2-propanol 
• 16004-15-2 1-bromomethyl-4-iodobenzene 
• 86386-77-8 1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole methanesulfonate 

Relevant articles and documents

Design, Synthesis, and Biological Evaluation of 1-[(Biarylmethyl)methylamino]-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ols as Potent Antifungal Agents: New Insights into Structure-Activity Relationships

We recently reported the design and synthesis of azole antifungal agents with a focus on modifications to the side chain appended to the propanol group. Herein we have identified a series of new 1-[(biarylmethyl)methylamino] derivatives with broad-spectrum antifungal activities against the most prevalent human pathogenic fungi (Candida spp. and Aspergillus fumigatus). Compounds containing a flexible benzylamine moiety were clearly shown to yield the best antifungal activities, without the need for a hydrogen-bond acceptor substituent directly attached to the para position. We were also able to determine that selected compounds are able to overcome gene overexpression and point mutations that lead to reduced susceptibility or resistance against current treatments, such as fluconazole. As the minor differences observed with small structural modifications cannot be explain with only a three-dimensional model of CYP51, adequate physicochemical parameters must be evaluated in terms of antifungal potency, bioavailability, and toxicity. Therefore, structure-activity relationship studies such as these reveal new insights for the development of future antifungal therapies. Attacking the fungus among us: 1-[(Biarylmethyl)methylamino] derivatives with broad-spectrum antifungal activities against the most prevalent human pathogenic fungi (Candida spp. and Aspergillus fumigatus) are described, revealing further information about their structure-activity relationships.