529-84-0 | 4-Methylesculetin

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$31.00	$22.00
5g	95%	in stock	$82.00	$57.00
25g	95%	in stock	$219.00	$153.00

Description

• Catalog Number: AB69616
• Chemical Name: 4-Methylesculetin
• CAS Number: 529-84-0
• Molecular Formula: C10H8O4
• Molecular Weight: 192.1681
• MDL Number: MFCD00006859
• SMILES: O=c1cc(C)c2c(o1)cc(c(c2)O)O

Computed Properties

• Complexity: 284
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• XLogP3: 1.5

Literature

• 4-methylesculetin, a coumarin derivative, ameliorates dextran sulfate sodium-induced intestinal inflammation.

  Chemico-biological interactions 20180125

• The hepatitis B virus ribonuclease H is sensitive to inhibitors of the human immunodeficiency virus ribonuclease H and integrase enzymes.

  PLoS pathogens 20130101

• Structure-anti-leukemic activity relationship study of ortho-dihydroxycoumarins in U-937 cells: key role of the δ-lactone ring in determining differentiation-inducing potency and selective pro-apoptotic action.

  Bioorganic & medicinal chemistry 20120915

• Suppression of TNBS-induced colitis in rats by 4-methylesculetin, a natural coumarin: comparison with prednisolone and sulphasalazine.

  Chemico-biological interactions 20120105

• Short- and long-term regulation of 3-hydroxy 3-methylglutaryl coenzyme A reductase by a 4-methylcoumarin.

  Biochimie 20110701

• Modeling natural anti-inflammatory compounds by molecular topology.

  International journal of molecular sciences 20110101

• 6,7-Dihydroxy-4-phenylcoumarin as inhibitor of aldose reductase 2.

  Bioorganic & medicinal chemistry letters 20101001

• Structure-activity relationship of dihydroxy-4-methylcoumarins as powerful antioxidants: correlation between experimental & theoretical data and synergistic effect.

  Biochimie 20100901

• Intestinal anti-inflammatory activity of esculetin and 4-methylesculetin in the trinitrobenzenesulphonic acid model of rat colitis.

  Chemico-biological interactions 20100730

• Synthesis, characterisation and antimicrobial activity of copper(II) and manganese(II) complexes of coumarin-6,7-dioxyacetic acid (cdoaH2) and 4-methylcoumarin-6,7-dioxyacetic acid (4-MecdoaH2): X-ray crystal structures of [Cu(cdoa)(phen)2].8.8H(2)O and [Cu(4-Mecdoa)(phen)2].13H2O (phen=1,10-phenanthroline).

  Journal of inorganic biochemistry 20070801

• Relationship between quantum-chemical descriptors of proton dissociation and experimental acidity constants of various hydroxylated coumarins. Identification of the biologically active species for xanthine oxidase inhibition.

  European journal of medicinal chemistry 20070701

• Inhibitory effect of 4-methylesculetin on hyaluronan synthesis slows the development of human pancreatic cancer in vitro and in nude mice.

  International journal of cancer 20070615

• Protection of coumarins against linoleic acid hydroperoxide-induced cytotoxicity.

  Chemico-biological interactions 20030106

• Structural requirements of hydroxylated coumarins for in vitro anti-Helicobacter pylori activity.

  In vivo (Athens, Greece) 20030101

• In vitro activity of polyhydroxycarboxylates against herpesviruses and HIV.

  Antiviral chemistry & chemotherapy 20011101

• [Sensitization and crossreaction of simple coumarins].

  Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20010101