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Home Other Building Blocks 38877-93-9
38877-93-9,MFCD22375170
Catalog No.:AA00C9BA

38877-93-9 | (E)-6-(4,6-Dimethoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid

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Purity
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500mg
>95%
2 weeks  
$552.00   $386.00
- +
1g
>95%
2 weeks  
$582.00   $408.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00C9BA
Chemical Name:
(E)-6-(4,6-Dimethoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid
CAS Number:
38877-93-9
Molecular Formula:
C18H22O6
Molecular Weight:
334.3637
MDL Number:
MFCD22375170
SMILES:
COc1c(C/C=C(/CCC(=O)O)\C)c(OC)c2c(c1C)COC2=O
Properties
Computed Properties
 
Complexity:
500  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
7  
XLogP3:
3  

Downstream Synthesis Route
38877-93-9   
5-(S)-2-Hydroxy-2-((S)-2-methyl-5-oxo-tetrahydro-furan-2-yl)-ethyl-4,6-dimethoxy-7-methyl-isobenzofuran-1,3-dione 

[1]McCorkindale,N.J.;Baxter,R.L.[Tetrahedron,1981,vol.37,p.2131-2136]

38877-93-9   
6-(S)-2-Hydroxy-2-((S)-2-methyl-5-oxo-tetrahydro-furan-2-yl)-ethyl-5,7-dimethoxy-4-methyl-3H-isobenzofuran-1-one 

[1]McCorkindale,N.J.;Baxter,R.L.[Tetrahedron,1981,vol.37,p.2131-2136]

[1]Covarrubias-Zuniga,Adrian;Gonzalez-Lucas,Armando[TetrahedronLetters,1998,vol.39,#19,p.2881-2882]

[2]Covarrubias-Zúñiga,Adrián;Gonzalez-Lucas,Armando;Domínguez,MireyaM.[Tetrahedron,2003,vol.59,#11,p.1989-1994]

[1]Covarrubias-Zuniga,Adrian;Gonzalez-Lucas,Armando[TetrahedronLetters,1998,vol.39,#19,p.2881-2882]

[2]Covarrubias-Zúñiga,Adrián;Gonzalez-Lucas,Armando;Domínguez,MireyaM.[Tetrahedron,2003,vol.59,#11,p.1989-1994]

Literature

Title: Structure-activity relationships for inhibition of inosine monophosphate dehydrogenase and differentiation induction of K562 cells among the mycophenolic acid derivatives.

Journal: Bioorganic & medicinal chemistry 20101115

Title: Mycophenolic acid as a latent agonist of PPARgamma.

Journal: Bioorganic & medicinal chemistry letters 20070901

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SDS
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Tags:38877-93-9 Molecular Formula|38877-93-9 MDL|38877-93-9 SMILES|38877-93-9 (E)-6-(4,6-Dimethoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid