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Home Fluorides 1314890-29-3
1314890-29-3,MFCD26522023
Catalog No.:AA009CCC

1314890-29-3 | N-{[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

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1mg
≥95%
in stock  
$53.00   $37.00
- +
5mg
98%
in stock  
$100.00   $70.00
- +
50mg
95%
in stock  
$255.00   $179.00
- +
100mg
95%
in stock  
$390.00   $273.00
- +
250mg
95%
in stock  
$601.00   $421.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009CCC
Chemical Name:
N-{[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CAS Number:
1314890-29-3
Molecular Formula:
C25H21F3N4O3S
Molecular Weight:
514.5194
MDL Number:
MFCD26522023
SMILES:
O=C(c1cccc(c1)c1noc(n1)C(F)(F)F)NCC1(CCOCC1)c1scc(n1)c1ccccc1
Properties
Computed Properties
 
Complexity:
749  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
4.8  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-EP2533783,2015,B1

1092400-82-2    1314886-98-0   
N-((4-(4-phenylthiazol-2-yl)tetrahydro-2H-pyran-4-yl)methyl)-3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide 

[1]Patent:EP2533783,2015,B1.Locationinpatent:Paragraph0138-0139

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-EP2533783,2015,B1

Literature

Title: Selective class IIa histone deacetylase inhibition via a nonchelating zinc-binding group.

Journal: Nature chemical biology 20130501

Title: Lobera M, et al. Selective class IIa histone deacetylase inhibition via a nonchelating zinc-binding group. Nat Chem Biol. 2013 May;9(5):319-25.

Title: Sinnett-Smith J, et al. Protein kinase D1 mediates class IIa histone deacetylase phosphorylation and nuclear extrusion in intestinal epithelial cells: role in mitogenic signaling. Am J Physiol Cell Physiol. 2014 May 15;306(10):C961-71.

Title: Kikuchi S, et al. Class IIa HDAC inhibition enhances ER stress-mediated cell death in multiple myeloma. Leukemia. 2015 Sep;29(9):1918-1927.

Title: EricSalgado, et al. Volume 503 HDAC9 overexpression confers invasive and angiogenic potential to triple negative breast cancer cells via modulating microRNA-206. Biochemical and Biophysical Research Communications.

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SDS
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Tags:1314890-29-3 Molecular Formula|1314890-29-3 MDL|1314890-29-3 SMILES|1314890-29-3 N-{[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide