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PSB-12379 disodium

Alias: PSB-12379 PSB-12379 disodium N6-Benzyl-α,β-methyleneadenosine 5'-diphosphate disodium salt PSB 12379 PSB12379
Cat No.:V6473 Purity: ≥98%
PSB-12379 is a nucleotide analog and a potent Ecto-5'-Nucleotidase (CD73) inhibitor (antagonist) with Kis values of 9.03 nM (mouse) and 2.21 nM (human).
PSB-12379 disodium
PSB-12379 disodium Chemical Structure CAS No.: 1802226-78-3
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
5mg
10mg
Other Sizes
Official Supplier of:
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Product Description
PSB-12379 is a nucleotide analog and a potent Ecto-5'-Nucleotidase (CD73) inhibitor (antagonist) with Kis values of 9.03 nM (mouse) and 2.21 nM (human).
Biological Activity I Assay Protocols (From Reference)
ln Vitro
Consumption: After 8 hours of sustained loading, only a tiny portion (<23%) of PSB-12379 (10g) was consumed under application conditions. However, >77% of the compound remained unaltered. The 10g of PSB-12379 is a little unstable; after 8 hours, 56% of it was gone. The nuclear sequence is the arrangement of sugar sequence bonds, and the usual I substitution at the top is seen to be the dominant reaction [1].
References

[1]. 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.

[2]. 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.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C18H23N5O9P2
Molecular Weight
515.3508
Exact Mass
515.097
CAS #
1802226-78-3
Related CAS #
PSB-12379 disodium
PubChem CID
122207761
Appearance
White to off-white solid powder
LogP
-2.6
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
13
Rotatable Bond Count
9
Heavy Atom Count
34
Complexity
785
Defined Atom Stereocenter Count
4
SMILES
P(C([H])([H])P(=O)(O[H])O[H])(=O)(O[H])OC([H])([H])[C@]1([H])[C@]([H])([C@]([H])([C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])C([H])([H])C2C([H])=C([H])C([H])=C([H])C=2[H])O1)O[H])O[H]
InChi Key
DMBYYIJBPDWQFF-SCFUHWHPSA-N
InChi Code
InChI=1S/C18H23N5O9P2/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)/t12-,14-,15-,18-/m1/s1
Chemical Name
[[(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
Synonyms
PSB-12379 PSB-12379 disodium N6-Benzyl-α,β-methyleneadenosine 5'-diphosphate disodium salt PSB 12379 PSB12379
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
H2O : ~125 mg/mL (~242.55 mM)
DMSO : ≥ 5 mg/mL (~9.70 mM)
Solubility (In Vivo)
Solubility in Formulation 1: 100 mg/mL (194.04 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.9404 mL 9.7021 mL 19.4043 mL
5 mM 0.3881 mL 1.9404 mL 3.8809 mL
10 mM 0.1940 mL 0.9702 mL 1.9404 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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