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529-84-0,MFCD00006859
Catalog No.:AA003MYC

529-84-0 | 4-Methylesculetin

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1g
98%
in stock  
$45.00   $32.00
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5g
>98.0%(HPLC)(T)
in stock  
$93.00   $65.00
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25g
>98.0%(HPLC)(T)
in stock  
$193.00   $135.00
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100g
>98.0%(HPLC)(T)
in stock  
$541.00   $379.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003MYC
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
Properties
Properties
 
BP:
455.5°C at 760 mmHg  
Form:
Solid  
MP:
274-276 °C(lit.);  
Refractive Index:
1.4440 (estimate)  
Solubility:
DMF: soluble  
Storage:
Keep in dry area;2-8℃;  

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

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

Journal: Chemico-biological interactions 20180125

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

Journal: PLoS pathogens 20130101

Title: 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.

Journal: Bioorganic & medicinal chemistry 20120915

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

Journal: Chemico-biological interactions 20120105

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

Journal: Biochimie 20110701

Title: Modeling natural anti-inflammatory compounds by molecular topology.

Journal: International journal of molecular sciences 20110101

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

Journal: Bioorganic & medicinal chemistry letters 20101001

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

Journal: Biochimie 20100901

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

Journal: Chemico-biological interactions 20100730

Title: 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: Journal of inorganic biochemistry 20070801

Title: 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.

Journal: European journal of medicinal chemistry 20070701

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

Journal: International journal of cancer 20070615

Title: Protection of coumarins against linoleic acid hydroperoxide-induced cytotoxicity.

Journal: Chemico-biological interactions 20030106

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

Journal: In vivo (Athens, Greece) 20030101

Title: In vitro activity of polyhydroxycarboxylates against herpesviruses and HIV.

Journal: Antiviral chemistry & chemotherapy 20011101

Title: [Sensitization and crossreaction of simple coumarins].

Journal: Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20010101

Title: Witaicenis A, et al. 4-methylesculetin, a coumarin derivative, ameliorates dextran sulfate sodium-induced intestinal inflammation. Chem Biol Interact. 2018 Jan 25;280:59-63.

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