1234676-72-2

Basic information

• Product Name: C₂₄H₁₄N₄O₆
• Synonyms: C₂₄H₁₄N₄O₆
• CAS NO: 1234676-72-2
• Molecular Weight: 454.398
• Mol File: 1234676-72-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₂₄H₁₄N₄O₆(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₄H₁₄N₄O₆(1234676-72-2)
• EPA Substance Registry System: C₂₄H₁₄N₄O₆(1234676-72-2)

Safety Data

• Hazardous Substances Data: 1234676-72-2(Hazardous Substances Data)

Upstream product

• 1000341-18-3 C₈H₆N₂O₂ 
• 100-20-9 terephthaloyl chloride 

Relevant articles and documents

Pharmacophore refinement guides the design of nanomolar-range botulinum neurotoxin serotype a light chain inhibitors

Botulinum neurotoxins (BoNTs) are the deadliest of microbial toxins. The enzymes' zinc(II) metalloprotease, referred to as the light chain (LC) component, inhibits acetylcholine release into neuromuscular junctions, resulting in the disease botulism. Currently, no therapies counter BoNT poisoning postneuronal intoxication; however, it is hypothesized that small molecules may be used to inhibit BoNT LC activity in the neuronal cytosol. Herein, we describe the pharmacophore-based design and chemical synthesis of potent [non-zinc(II) chelating] small molecule (nonpeptidic) inhibitors (SMNPIs) of the BoNT serotype A LC (the most toxic of the BoNT serotype LCs). Specifically, the three-dimensional superimpositions of 2-[4-(4-amidinephenoxy) phenyl]indole-6-amidine-based SMNPI regioisomers [Ki = 0.600 μM (±0.100 μM)], with a novel lead bis-[3-amide-5-(imidazolino)phenyl] terephthalamide (BAIPT)-based SMNPI [Ki = 8.52 μM (±0.53 μM)], resulted in a refined four-zone pharmacophore. The refined model guided the design of BAIPT-based SMNPIs possessing Ki values = 0.572 (±0.041 μM) and 0.900 μM (±0.078 μM).