72581-71-6,MFCD01075144
Catalog No.:AA0063R1

72581-71-6 | Isosilybin

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$346.00   $242.00
- +
5mg
≥95%
in stock  
$1,553.00   $1,087.00
- +
10mg
analytical standard,≥98%
in stock  
$1,716.00   $1,202.00
- +
20mg
analytical standard,≥98%
in stock  
$3,043.00   $2,130.00
- +
50mg
analytical standard,≥98%
in stock  
$6,770.00   $4,739.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0063R1
Chemical Name:
Isosilybin
CAS Number:
72581-71-6
Molecular Formula:
C25H22O10
Molecular Weight:
482.4362
MDL Number:
MFCD01075144
SMILES:
OCC1Oc2cc(ccc2OC1c1ccc(c(c1)OC)O)C1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
750  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Literature

Title: Influence of exogenous salicylic acid on flavonolignans and lipoxygenase activity in the hairy root cultures of Silybum marianum.

Journal: Cell biology international 20090901

Title: Isosilibinin inhibits advanced human prostate cancer growth in athymic nude mice: comparison with silymarin and silibinin.

Journal: International journal of cancer 20081215

Title: New insight into the biosynthesis of flavanolignans in the white-flowered variant of Silybum marianum.

Journal: Journal of chromatographic science 20080201

Title: Synchronized and sustained release of multiple components in silymarin from erodible glyceryl monostearate matrix system.

Journal: European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V 20070501

Title: Separation and characterization of silybin, isosilybin, silydianin and silychristin in milk thistle extract by liquid chromatography-electrospray tandem mass spectrometry.

Journal: Journal of chromatography. A 20060526

Title: Mooiman KD, et al. Milk thistle's active components silybin and isosilybin: novel inhibitors of PXR-mediated CYP3A4 induction. Drug Metab Dispos. 2013 Aug;41(8):1494-504.

Title: Deep G, et al. Isosilybin B and isosilybin A inhibit growth, induce G1 arrest and cause apoptosis in human prostate cancer LNCaP and 22Rv1 cells. Carcinogenesis. 2007 Jul;28(7):1533-42.

Title: Deep G, et al. Isosilybin B causes androgen receptor degradation in human prostate carcinoma cells via PI3K-Akt-Mdm2-mediated pathway. Oncogene. 2008 Jun 26;27(28):3986-98.

Title: Pferschy-Wenzig EM, et al. Identification of isosilybin a from milk thistle seeds as an agonist of peroxisome proliferator-activated receptor gamma. J Nat Prod. 2014 Apr 25;77(4):842-7.

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SDS
Tags:72581-71-6 Molecular Formula|72581-71-6 MDL|72581-71-6 SMILES|72581-71-6 Isosilybin
Catalog No.: AA0063R1
72581-71-6,MFCD01075144
72581-71-6 | Isosilybin
Pack Size: 1mg
Purity: ≥95%
in stock
$346.00 $242.00
Pack Size: 5mg
Purity: ≥95%
in stock
$1,553.00 $1,087.00
Pack Size: 10mg
Purity: analytical standard,≥98%
in stock
$1,716.00 $1,202.00
Pack Size: 20mg
Purity: analytical standard,≥98%
in stock
$3,043.00 $2,130.00
Pack Size: 50mg
Purity: analytical standard,≥98%
in stock
$6,770.00 $4,739.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA0063R1
Chemical Name: Isosilybin
CAS Number: 72581-71-6
Molecular Formula: C25H22O10
Molecular Weight: 482.4362
MDL Number: MFCD01075144
SMILES: OCC1Oc2cc(ccc2OC1c1ccc(c(c1)OC)O)C1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O
Properties
Form: Solid  
Complexity: 750  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 2  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 35  
Hydrogen Bond Acceptor Count: 10  
Hydrogen Bond Donor Count: 5  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 2  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Literature fold

Title: Influence of exogenous salicylic acid on flavonolignans and lipoxygenase activity in the hairy root cultures of Silybum marianum.

Journal: Cell biology international20090901

Title: Isosilibinin inhibits advanced human prostate cancer growth in athymic nude mice: comparison with silymarin and silibinin.

Journal: International journal of cancer20081215

Title: New insight into the biosynthesis of flavanolignans in the white-flowered variant of Silybum marianum.

Journal: Journal of chromatographic science20080201

Title: Synchronized and sustained release of multiple components in silymarin from erodible glyceryl monostearate matrix system.

Journal: European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V20070501

Title: Separation and characterization of silybin, isosilybin, silydianin and silychristin in milk thistle extract by liquid chromatography-electrospray tandem mass spectrometry.

Journal: Journal of chromatography. A20060526

Title: Mooiman KD, et al. Milk thistle's active components silybin and isosilybin: novel inhibitors of PXR-mediated CYP3A4 induction. Drug Metab Dispos. 2013 Aug;41(8):1494-504.

Title: Deep G, et al. Isosilybin B and isosilybin A inhibit growth, induce G1 arrest and cause apoptosis in human prostate cancer LNCaP and 22Rv1 cells. Carcinogenesis. 2007 Jul;28(7):1533-42.

Title: Deep G, et al. Isosilybin B causes androgen receptor degradation in human prostate carcinoma cells via PI3K-Akt-Mdm2-mediated pathway. Oncogene. 2008 Jun 26;27(28):3986-98.

Title: Pferschy-Wenzig EM, et al. Identification of isosilybin a from milk thistle seeds as an agonist of peroxisome proliferator-activated receptor gamma. J Nat Prod. 2014 Apr 25;77(4):842-7.

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