Home Other Building Blocks 758679-97-9
758679-97-9,MFCD20755108
Catalog No.:AA00G3L8

758679-97-9 | CID-2858522

Pack Size
Purity
Availability
Price(USD)
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1mg
≥98%
in stock  
$53.00   $37.00
- +
5mg
≥98%
in stock  
$103.00   $72.00
- +
10mg
≥98%
in stock  
$182.00   $127.00
- +
25mg
≥98%(HPLC)
in stock  
$299.00   $209.00
- +
50mg
in stock  
$575.00   $403.00
- +
100mg
in stock  
$949.00   $664.00
- +
500mg
in stock  
$2,920.00   $2,044.00
- +
1000mg
in stock  
$4,634.00   $3,244.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00G3L8
Chemical Name:
CID-2858522
CAS Number:
758679-97-9
Molecular Formula:
C28H39N3O3
Molecular Weight:
465.6276
MDL Number:
MFCD20755108
SMILES:
OCCCNc1nc2c(n1CC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)cc(c(c2)C)C
Properties
Computed Properties
 
Complexity:
661  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
9  
XLogP3:
7.2  

Downstream Synthesis Route

[1]Peddibhotla,Satyamaheshwar;Shi,Ranxin;Khan,Pasha;Smith,LaytonH.;Mangravita-Novo,Arianna;Vicchiarelli,Michael;Su,Ying;Okolotowicz,KarlJ.;Cashman,JohnR.;Reed,JohnC.;Roth,GregoryP.[JournalofMedicinalChemistry,2010,vol.53,#12,p.4793-4797]

[2]Hershberger,PaulM.;Peddibhotla,Satyamaheshwar;Sessions,E.Hampton;Divlianska,DanielaB.;Correa,RicardoG.;Pinkerton,AnthonyB.;Reed,JohnC.;Roth,GregoryP.[BeilsteinJournalofOrganicChemistry,2013,vol.9,p.900-907]

[3]CurrentPatentAssignee:SANFORDBURNHAMPREBYSMEDICALDISCOVERYINSTITUTE;HUMANBIOMOLECULARRESEARCHINSTITUTE-US2009/247520,2009,A1Locationinpatent:Page/Pagecolumn15-16

[1]BeilsteinJournalofOrganicChemistry,2013,vol.9,p.900-907

[2]Patent:US2009/247520,2009,A1

[1]BeilsteinJournalofOrganicChemistry,2013,vol.9,p.900-907

Literature

Title: Inhibition of protein kinase C-driven nuclear factor-kappaB activation: synthesis, structure-activity relationship, and pharmacological profiling of pathway specific benzimidazole probe molecules.

Journal: Journal of medicinal chemistry 20100624

Title: Selective benzimidazole inhibitors of the antigen receptor-mediated NF-kappaB activation pathway.

Journal: Bioorganic & medicinal chemistry 20100301

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Okolotowicz KJ, et al. Selective benzimidazole inhibitors of the antigen receptor-mediated NF-kappaB activationpathway. Bioorg Med Chem. 2010 Mar 1;18(5):1918-24.

Title: Peddibhotla S, et al. Inhibition of protein kinase C-driven nuclear factor-kappaB activation: synthesis, structure-activity relationship, and pharmacological profiling of pathway specific benzimidazole probe molecules. J Med Chem. 2010 Jun 24;53(12):4793-7.

Title: Shi R, et al. Chemical biology strategy reveals pathway-selective inhibitor of NF-kappaB activation induced by protein kinase C. ACS Chem Biol. 2010 Mar 19;5(3):287-99.

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SDS
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