54246-05-8

Basic information

• Product Name: Benzaldehyde, 3,4-dihydroxy-5-iodo-
• CAS NO: 54246-05-8
• Molecular Formula: C7H5IO3
• Molecular Weight: 264.019
• Mol File: 54246-05-8.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: Benzaldehyde, 3,4-dihydroxy-5-iodo-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzaldehyde, 3,4-dihydroxy-5-iodo-(54246-05-8)
• EPA Substance Registry System: Benzaldehyde, 3,4-dihydroxy-5-iodo-(54246-05-8)

Safety Data

• Hazardous Substances Data: 54246-05-8(Hazardous Substances Data)

Upstream product

• 5438-36-8 5-iodovaniline 

Downstream Products

• 139-85-5 3,4-dihydroxybenzaldehyde 
• 854422-98-3 3-iodo-4,5-bis(methoxymethoxy)benzaldehyde 
• 943975-95-9 3,4-diisopropoxy-5-iodobenzaldehyde 

Relevant articles and documents

Development of 1,3a,6a-triazapentalene-labeled enterobactin as a fluorescence quenching sensor of iron ion

1,3a,6a-Triazapentalene (TAP)-labeled enterobactin was developed as an iron ion sensor. 3-Acetylated-TAP was successfully introduced to the catechol ring of enterobactin, a well-recognized siderophore secreted by various Gram-negative bacteria. The fluorescence of TAP-labeled enterobactin decreased gradually as the amount of Fe3+ ion as an additive was increased, and 1.2?equiv of Fe3+ ion completely quenched the fluorescence. In clear contrast, when other metal ions were used, the fluorescence of TAP-labeled enterobactin remained even at 5.0?equiv.

5-HT7receptor modulators: Amino groups attached to biphenyl scaffold determine functional activity

5-HT7receptor (5-HT7R) agonists and antagonists have been reported to be used for treatment of neuropathic pain and depression, respectively. In this study, as a novel scaffold for 5-HT7R modulators, we designed and prepared a series of biphenyl-3-yl-methanamine derivatives with various amino groups. Evaluation of functional activities as well as binding affinities of the title compounds identified partial agonists (EC50?=?0.55–3.2?μM) and full antagonists (IC50?=?5.57–23.1?μM) depending on the amino substituents. Molecular docking study suggested that the ligand-based switch in functional activity from agonist to antagonist results from the size of the amino groups and thereby different binding modes to 5-HT7R. In particular, interaction of the ligand with Arg367 of 5-HT7R is shown to differentiate agonists and antagonists. In the pharmacophore model study, two distinct pharmacophore models can tell whether a ligand is an agonist or an antagonist. Taken together, this study provides valuable information for designing novel compounds with selective agonistic or antagonistic properties against 5-HT7R.

Approaches to iodinated derivatives of vanillin and isovanillin

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