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Home Other Building Blocks 870544-59-5
870544-59-5,MFCD28386231
Catalog No.:AA01E5IH

870544-59-5 | BPTU

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$46.00   $32.00
- +
5mg
≥98%
in stock  
$112.00   $78.00
- +
10mg
≥98%
in stock  
$199.00   $139.00
- +
25mg
≥98%
in stock  
$382.00   $267.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01E5IH
Chemical Name:
BPTU
CAS Number:
870544-59-5
Molecular Formula:
C23H22F3N3O3
Molecular Weight:
445.4343
MDL Number:
MFCD28386231
SMILES:
O=C(Nc1cccnc1Oc1ccccc1C(C)(C)C)Nc1ccc(cc1)OC(F)(F)F
Properties
Computed Properties
 
Complexity:
604  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
XLogP3:
6.1  

Literature

Title: Two disparate ligand-binding sites in the human P2Y1 receptor.

Journal: Nature 20150416

Title: New azole antagonists with high affinity for the P2Y(1) receptor.

Journal: Bioorganic & medicinal chemistry letters 20130615

Title: Noemí Mañé, et al. BPTU, an allosteric antagonist of P2Y1 receptor, blocks nerve mediated inhibitory neuromuscular responses in the gastrointestinal tract of rodents. Neuropharmacology. 2016 Nov;110(Pt A):376-385.

Title: Dandan Zhang, et al. Two disparate ligand binding sites in the human P2Y1 receptor. Nature. 2015 Apr 16; 520(7547): 317–321.

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