338990-84-4

Basic information

• Product Name: 1-[3(R)-[4-(4-Cyanophenyl)thiazol-2-yl]-2(R)-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[N-methyl-N-[3-[2-(methylammonio)acetoxymethyl]pyridin-2-yl]carbamoyloxy]ethyl]-1H-1,2,4-triazol-4-ium dichloride
• Synonyms: BAL-8557; RO-0098557
• CAS NO: 338990-84-4
• Molecular Formula: C₃₅H₃₆Cl₂F₂N₈O₅S
• Molecular Weight: 789.69457
• Mol File: 338990-84-4.mol

Chemical Properties

• CAS DataBase Reference: 1-[3(R)-[4-(4-Cyanophenyl)thiazol-2-yl]-2(R)-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[N-methyl-N-[3-[2-(methylammonio)acetoxymethyl]pyridin-2-yl]carbamoyloxy]ethyl]-1H-1,2,4-triazol-4-ium dichloride(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[3(R)-[4-(4-Cyanophenyl)thiazol-2-yl]-2(R)-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[N-methyl-N-[3-[2-(methylammonio)acetoxymethyl]pyridin-2-yl]carbamoyloxy]ethyl]-1H-1,2,4-triazol-4-ium dichloride(338990-84-4)
• EPA Substance Registry System: 1-[3(R)-[4-(4-Cyanophenyl)thiazol-2-yl]-2(R)-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[N-methyl-N-[3-[2-(methylammonio)acetoxymethyl]pyridin-2-yl]carbamoyloxy]ethyl]-1H-1,2,4-triazol-4-ium dichloride(338990-84-4)

Safety Data

• Hazardous Substances Data: 338990-84-4(Hazardous Substances Data)

Usage

Chemical structure

The compound has a complex structure with multiple rings and functional groups.

Thiazole ring

The compound contains a thiazole ring, which is a five-membered ring with one nitrogen and one sulfur atom.

Triazolium ring

The compound also contains a triazolium ring, which is a five-membered ring with three nitrogen atoms and a positive charge.

Pyridine ring

The compound has a pyridine ring, which is a six-membered ring with alternating single and double bonds and one nitrogen atom.

Hydroxy functional group

The compound has a hydroxy functional group, which is a hydroxyl group (-OH) attached to a carbon atom.

Carbamoyloxy functional group

The compound has a carbamoyloxy functional group, which is a carbonyl group (C=O) attached to an amide group (-CONH).

Methylammonio functional group

The compound has a methylammonio functional group, which is a positively charged nitrogen atom attached to a methyl group (-CH3).

Potential pharmaceutical applications

The compound shows potential for use in the treatment of certain diseases or medical conditions.

Further research and testing required

Further research and testing are likely required to fully understand the properties and potential applications of the compound.

Dichloride salt

The compound is a dichloride salt, which means it contains two chloride ions (Cl-) as counterions.

Upstream product

• 338990-63-9 1-[[N-methyl-N-3-[(t-butoxycarbonylmethylamino)acetoxymethyl]pyridin-2-yl]carbamoyloxy]ethyl-1-[(2R,3R)-2-(2,5-difluorophenyl)-2-hydroxy-3-[4-(4-cyanophenyl)thiazol-2-yl]butyl]-1H-[1,2,4]triazol-4-ium chloride 

Relevant articles and documents

Design, synthesis and antifungal activity of a novel water soluble prodrug of antifungal triazole.

A highly potent water soluble triazole antifungal prodrug, RO0098557 (1), has been identified from its parent, the novel antifungal agent RO0094815 (2). The prodrug includes a triazolium salt linked to an aminocarboxyl moiety, which undergoes enzymatic activation followed by spontaneous chemical degradation to release 2. Prodrug 1 showed high chemical stability and water solubility and exhibited strong antifungal activity against systemic candidiasis and aspergillosis as well as pulmonary aspergillosis in rats.

N-substituted carbamoyloxyalkyl-azolium derivatives

N-substituted carbamoyloxyalkyl-azolium derivatives which have antifungal activity and are useful for the treatment of fungal diseases.