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Home Other Building Blocks 1802226-78-3
1802226-78-3,MFCD31544493
Catalog No.:AA01EOLV

1802226-78-3 | PSB-12379

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$82.00   $57.00
- +
5mg
≥98%
in stock  
$333.00   $233.00
- +
10mg
≥98%
in stock  
$472.00   $330.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01EOLV
Chemical Name:
PSB-12379
CAS Number:
1802226-78-3
Molecular Formula:
C18H23N5O9P2
Molecular Weight:
515.3508
MDL Number:
MFCD31544493
SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1ccccc1)COP(=O)(CP(=O)(O)O)O
Properties
Computed Properties
 
Complexity:
785  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
6  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
4  
XLogP3:
-2.6  

Literature

Title: Bhattarai S, et al. α,β-Methylene-ADP (AOPCP) Derivatives and Analogues: Development of Potent and Selective ecto-5'-Nucleotidase (CD73) Inhibitors. J Med Chem. 2015 Aug 13;58(15):6248-63.

Title: X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5 -Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy Sanjay Bhattarai. Adv. Therap. 2019, 2, 1900075.

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SDS
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Tags:1802226-78-3 Molecular Formula|1802226-78-3 MDL|1802226-78-3 SMILES|1802226-78-3 PSB-12379