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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
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
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  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
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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Tags:870544-59-5 Molecular Formula|870544-59-5 MDL|870544-59-5 SMILES|870544-59-5 BPTU
Catalog No.: AA01E5IH
870544-59-5,MFCD28386231
870544-59-5 | BPTU
Pack Size： 1mg
Purity： ≥98%
in stock
$46.00 $32.00
Pack Size： 5mg
Purity： ≥98%
in stock
$112.00 $78.00
Pack Size： 10mg
Purity： ≥98%
in stock
$199.00 $139.00
Pack Size： 25mg
Purity： ≥98%
in stock
$382.00 $267.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
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
Complexity: 604  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 32  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 6.1  
Literature fold

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

Journal: Nature20150416

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

Journal: Bioorganic & medicinal chemistry letters20130615

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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