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41552-95-8,MFCD01754449
Catalog No.:AA00C6FR

41552-95-8 | A2AR-agonist-1

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Purity
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Price(USD)
Quantity
  
1mg
≥98%
in stock  
$222.00   $155.00
- +
5mg
≥98%
in stock  
$758.00   $530.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00C6FR
Chemical Name:
A2AR-agonist-1
CAS Number:
41552-95-8
Molecular Formula:
C20H22N6O4
Molecular Weight:
410.4265
MDL Number:
MFCD01754449
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCCc1c[nH]c2c1cccc2
Properties
Computed Properties
 
Complexity:
588  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
5  
Rotatable Bond Count:
6  
XLogP3:
1.7  

Literature

Title: Chen JB, et al. Design and synthesis of novel dual-action compounds targeting the adenosine A(2A) receptor and adenosine transporter for neuroprotection. ChemMedChem. 2011 Aug 1;6(8):1390-1400.

Title: Lin Yun-Lian, et al. Dual-action compounds targeting adenosine A2A receptor and adenosine transporter for prevention and treatment of neurodegenerative diseases. From PCT Int. Appl. (2012), WO 2012064340 A1 20120518.

Title: Chen, Chih-Cheng, et al. Methods and compositions for treating pain. From PCT Int. Appl. (2013), WO 2013120078 A1 20130815.

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SDS
Tags:41552-95-8 Molecular Formula|41552-95-8 MDL|41552-95-8 SMILES|41552-95-8 A2AR-agonist-1