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863774-58-7,MFCD09264157
Catalog No.:AA008EKT

863774-58-7 | Dimethylenastron

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1mg
98+%
in stock  
$6.00   $4.00
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5mg
98+%
in stock  
$8.00   $6.00
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10mg
98+%
in stock  
$11.00   $8.00
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50mg
98+%
in stock  
$28.00   $20.00
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100mg
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in stock  
$48.00   $34.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA008EKT
Chemical Name:
Dimethylenastron
CAS Number:
863774-58-7
Molecular Formula:
C16H18N2O2S
Molecular Weight:
302.3913
MDL Number:
MFCD09264157
SMILES:
S=C1NC2=C(C(N1)c1cccc(c1)O)C(=O)CC(C2)(C)C
Properties
Computed Properties
 
Complexity:
512  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2  

Upstream Synthesis Route

[1]RSCAdvances,2015,vol.5,#60,p.48506-48515

[2]ACSCatalysis,2013,vol.3,#7,p.1420-1430

[3]Chemistry-AEuropeanJournal,2013,vol.19,#13,p.4156-4168

[1]LettersinOrganicChemistry,2010,vol.7,#4,p.314-318

Literature

Title: Dimethylenastron suppresses human pancreatic cancer cell migration and invasion in vitro via allosteric inhibition of mitotic kinesin Eg5.

Journal: Acta pharmacologica Sinica 20111201

Title: The effect of adjuvant dimethylenastron, a mitotic Kinesin Eg5 inhibitor, in experimental glaucoma filtration surgery.

Journal: Current eye research 20101201

Title: Structural basis for inhibition of Eg5 by dihydropyrimidines: stereoselectivity of antimitotic inhibitors enastron, dimethylenastron and fluorastrol.

Journal: Journal of medicinal chemistry 20100812

Title: Biochemical analysis of cellular target of S-trityl-L-cysteine derivatives using affinity matrix.

Journal: Bioorganic & medicinal chemistry letters 20100301

Title: New chemical tools for investigating human mitotic kinesin Eg5.

Journal: Bioorganic & medicinal chemistry 20071001

Title: Inhibitors of kinesin Eg5: antiproliferative activity of monastrol analogues against human glioblastoma cells.

Journal: Cancer chemotherapy and pharmacology 20070201

Title: The pKa value of the active site histidine in photo-oxidised papain.

Journal: FEBS letters 19760101

Title: Gartner M, et al. Development and biological evaluation of potent and specific inhibitors of mitotic Kinesin Eg5. Chembiochem. 2005 Jul;6(7):1173-7.

Title: Sun XD, et al. Dimethylenastron suppresses human pancreatic cancer cell migration and invasion in vitro via allosteric inhibition of mitotic kinesin Eg5. Acta Pharmacol Sin. 2011 Dec;32(12):1543-8.

Title: Lüke J, et al. The effect of adjuvant dimethylenastron, a mitotic Kinesin Eg5 inhibitor, in experimental glaucoma filtration surgery. Curr Eye Res. 2010 Dec;35(12):1090-8.

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SDS
Tags:863774-58-7 Molecular Formula|863774-58-7 MDL|863774-58-7 SMILES|863774-58-7 Dimethylenastron