14894-87-2

Basic information

• Product Name: ESCULETINDIACETATE
• Synonyms: ESCULETINDIACETATE;6,7-Diacetoxy-2H-1-benzopyran-2-one;6,7-Diacetylesculetin
• CAS NO: 14894-87-2
• Molecular Formula: C₁₃H₁₀O₆
• Molecular Weight: 262.21
• Mol File: 14894-87-2.mol

Chemical Properties

• Melting Point: 132-133 °C(Solv: ethanol (64-17-5))
• Boiling Point: 444.4±45.0 °C(Predicted)
• Appearance: /
• Density: 1.363±0.06 g/cm3(Predicted)
• CAS DataBase Reference: ESCULETINDIACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: ESCULETINDIACETATE(14894-87-2)
• EPA Substance Registry System: ESCULETINDIACETATE(14894-87-2)

Safety Data

• Hazardous Substances Data: 14894-87-2(Hazardous Substances Data)

Upstream product

• 305-01-1 aesculetin 
• 108-24-7 acetic anhydride 
• 112-76-5 Stearoyl chloride 

Relevant articles and documents

Inhibitory effects and structural insights for a novel series of coumarin-based compounds that selectively target human CA IX and CA XII carbonic anhydrases

Coumarin derivatives are a peculiar class of inhibitors of the family of metalloenzymes carbonic anhydrases (CA, EC 4.2.1.1). Several coumarins display higher affinity and selectivity toward most relevant and druggable CA isoforms. By decorating the natur

Semisynthesis, ex vivo evaluation, and SAR studies of coumarin derivatives as potential antiasthmatic drugs

Asthma is a chronic inflammatory disorder that causes contraction in the smooth muscle of the airway and blocking of airflow. Reversal the contractile process is a strategy for the search of new drugs that could be used for the treatment of asthma. This work reports the semisynthesis, ex vivo relaxing evaluation and SAR studies of a series of 18 coumarins. The results pointed that the ether derivatives 1-3, 7-9 and 13-15 showed the best activity (E max = 100%), where compound 2 (42 μM) was the most potent, being 4-times more active than theophylline (positive control). The ether homologation (methyl, ethyl and propyl) in position 7 or positions 6 and 7 of coumarins lead to relaxing effect, meanwhile formation of esters generated less active compounds than ethers. The SAR analysis showed that it is necessary the presence of two small ether groups and the methyl group at position 4 (site 3) encourage biological activity through soft hydrophobic changes in the molecule, without drastically affecting the cLogP.

Esculetin derivatives and pharmaceutical composition

A pharmaceutical composition comprising a compound of the general formula (I): STR1 wherein R1 and R2 are, independently, a hydrogen atom, a saturated or unsaturated aliphatic acyl having 2 to 25 carbon atoms or benzoyl group and Rs