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Home Other Building Blocks 1204975-42-7
1204975-42-7,MFCD27987902
Catalog No.:AA00IKAS

1204975-42-7 | Leq506

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
95%
1 week  
$244.00   $171.00
- +
5mg
95%
1 week  
$530.00   $371.00
- +
10mg
95%
1 week  
$764.00   $535.00
- +
25mg
95%
1 week  
$1,183.00   $828.00
- +
50mg
95%
1 week  
$1,578.00   $1,104.00
- +
100mg
95%
1 week  
$2,103.00   $1,472.00
- +
500mg
95%
1 week  
$4,160.00   $2,912.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IKAS
Chemical Name:
Leq506
CAS Number:
1204975-42-7
Molecular Formula:
C25H32N6O
Molecular Weight:
432.5612
MDL Number:
MFCD27987902
SMILES:
C[C@@H]1CN(CCN1c1cnc(cn1)C(O)(C)C)c1nnc(c(c1C)C)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
597  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
2.9  

Downstream Synthesis Route

[1]ChemMedChem,2013,vol.8,p.1261-1265

Literature

Title: Peukert S, et al. Discovery of NVP-LEQ506, a second-generation inhibitor of smoothened. ChemMedChem. 2013 Aug;8(8):1261-5.

Title: Lauressergues E, et al. Pharmacological evaluation of a series of smoothened antagonists in signaling pathways and after topical application in a depilated mouse model. Pharmacol Res Perspect. 2016 Mar 4;4(2):e00214.

Quotation Request
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SDS
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Tags:1204975-42-7 Molecular Formula|1204975-42-7 MDL|1204975-42-7 SMILES|1204975-42-7 Leq506