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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
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
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  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0  
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
Catalog No.: AA01EOLV
1802226-78-3,MFCD31544493
1802226-78-3 | PSB-12379
Pack Size： 1mg
Purity： ≥98%
in stock
$82.00 $57.00
Pack Size： 5mg
Purity： ≥98%
in stock
$333.00 $233.00
Pack Size： 10mg
Purity： ≥98%
in stock
$472.00 $330.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
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
Complexity: 785  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 34  
Hydrogen Bond Acceptor Count: 13  
Hydrogen Bond Donor Count: 6  
Isotope Atom Count: 0  
Rotatable Bond Count: 9  
Undefined Atom Stereocenter Count: 4  
Undefined Bond Stereocenter Count: 0  
XLogP3: -2.6  
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