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Home Other Building Blocks 1218778-77-8
1218778-77-8,MFCD16627994
Catalog No.:AA009C9U

1218778-77-8 | LDE225 Diphosphate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$46.00   $32.00
- +
5mg
99%
in stock  
$157.00   $110.00
- +
10mg
99%
in stock  
$177.00   $124.00
- +
50mg
99%
in stock  
$315.00   $220.00
- +
100mg
99%
in stock  
$491.00   $344.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009C9U
Chemical Name:
LDE225 Diphosphate
CAS Number:
1218778-77-8
Molecular Formula:
C26H32F3N3O11P2
Molecular Weight:
681.4885
MDL Number:
MFCD16627994
SMILES:
OP(=O)(O)O.OP(=O)(O)O.C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F
Properties
Computed Properties
 
Complexity:
741  
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
7  
Rotatable Bond Count:
5  

Downstream Synthesis Route

[1]Salati;Stathis[DrugsoftheFuture,2014,vol.39,#10,p.677-684]

[1]Salati;Stathis[DrugsoftheFuture,2014,vol.39,#10,p.677-684]

[1]Salati;Stathis[DrugsoftheFuture,2014,vol.39,#10,p.677-684]

956697-53-3   
N-6-(2R,6S)-2,6-dimethyl-4-morpholinyl-3-pyridinyl-2-methyl-4’-(trifluoromethoxy)-1,1‘-biphenyl-3-carboxamidediphosphate 

[1]DrugsoftheFuture,2014,vol.39,p.677-684

[1]Salati;Stathis[DrugsoftheFuture,2014,vol.39,#10,p.677-684]

[2]Salati;Stathis[DrugsoftheFuture,2014,vol.39,#10,p.677-684]

Literature

Title: Pan S, et al. Discovery of NVP-LDE225, a Potent and Selective Smoothened Antagonist. ACS Med Chem Lett. 2010 Mar 16;1(3):130-4.

Title: Irvine DA, et al. Deregulated hedgehog pathway signaling is inhibited by the smoothened antagonist LDE225 (Sonidegib) in chronic phase chronic myeloid leukaemia. Sci Rep. 2016 May 9;6:25476.

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