PSB-12379 disodium

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 526930

CAS#: 1802226-78-3 (free acid)

Description: PSB-12379 is a potent and selective ecto-5′-Nucleotidase (CD73) Inhibitor (Human eN Ki = 2.21 nM; rat eN Ki = 9.03 nM). PSB-12379 displayed high selectivity versus other ecto-nucleotidases (NTPDase 1−3 and NPP 1−3) and ADP-activated P2Y (P2Y1 and P2Y12) receptors. PBS-12379 represents the most potent eN inhibitor known to date, showing high selectivity and metabolic stability. The ecto-5′-Nucleotidase (eN, CD73) catalyzes the hydrolysis of extracellular AMP to adenosine. eN inhibitors have potential for use as cancer therapeutics.

Chemical Structure

PSB-12379 disodium
CAS# 1802226-78-3 (free acid)

Theoretical Analysis

MedKoo Cat#: 526930
Name: PSB-12379 disodium
CAS#: 1802226-78-3 (free acid)
Chemical Formula: C18H21N5Na2O9P2
Exact Mass: 515.0971
Molecular Weight: 559.32
Elemental Analysis: C, 38.65; H, 3.78; N, 12.52; Na, 8.22; O, 25.74; P, 11.08

Price and Availability

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10.0mg USD 450.0 2 Weeks
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Related CAS #: 1802226-78-3 (free acid)   CAS# is unknown for sodium salt.  

Synonym: PSB-12379; PSB 12379; PSB12379; PSB-12379 disodium; N6-Benzyl-α,β-methyleneadenosine 5'-diphosphate disodium salt.

IUPAC/Chemical Name: sodium hydrogen (((((2R,3S,4R,5R)-5-(6-(benzylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)oxidophosphoryl)methyl)phosphonate


InChi Code: InChI=1S/C18H23N5O9P2.2Na/c24-14-12(7-31-34(29,30)10-33(26,27)28)32-18(15(14)25)23-9-22-13-16(20-8-21-17(13)23)19-6-11-4-2-1-3-5-11;;/h1-5,8-9,12,14-15,18,24-25H,6-7,10H2,(H,29,30)(H,19,20,21)(H2,26,27,28);;/q;2*+1/p-2/t12-,14-,15-,18-;;/m1../s1

SMILES Code: O[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C3=NC=NC(NCC4=CC=CC=C4)=C3N=C2)COP(CP(O)(O[Na])=O)(O[Na])=O

Appearance: Colorless liquid

Purity: >98% ((pre-dissolved in water at a concentration of 10 mM).

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Certificate of Analysis:

Safety Data Sheet (SDS):

Preparing Stock Solutions

The following data is based on the product molecular weight 559.32 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Bhattarai S, Freundlieb M, Pippel J, Meyer A, Abdelrahman A, Fiene A, Lee SY,
Zimmermann H, Yegutkin GG, Sträter N, El-Tayeb A, Müller CE. 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.
doi: 10.1021/acs.jmedchem.5b00802. PubMed PMID: 26147331.