[CAS NO. 1802226-78-3] PSB-12379
PRODUCTS SPECIFICATIONS [1802226-78-3]
DESCRIPTION [1802226-78-3]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 529.38 |
| Molecular Formula | C19H25N5O9P2 |
| SMILES | O=P(O)(O)CP(OCC[C@H]1O[C@@H](N2C3=NC=NC(NCC4=CC=CC=C4)=C3N=C2)[C@H](O)[C@@H]1O)(O)=O |
2 Publications Citing Use of MCE
Summary
IC50 & Target
Ki: 9.03 nM (rat), 2.21 nM (human) (Ecto-5’-Nucleotidase) [1]
In Vitro
Metabolism : Only a small percentage (<23%) of PSB-12379 (10g) is metabolized under the applied conditions, while >77% of the compounds are recovered unchanged after a long incubation for 8 h. PSB-12379 (10g) is somewhat less stable, and 56% are metabolized within 8 h. Hydrolytic cleavage of the glycosidic bond, which is a typical phase I reaction of nucleosides and nucleotides, was observed as the main reaction [1] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| 4°C | 2 years | |
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
H 2 O : 125 mg/mL ( 236.13 mM ; Need ultrasonic)
DMSO : ≥ 5 mg/mL ( 9.45 mM )
* "≥" means soluble, but saturation unknown.
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 1.8890 mL | 9.4450 mL | 18.8900 mL |
| 5 mM | 0.3778 mL | 1.8890 mL | 3.7780 mL |
| 10 mM | 0.1889 mL | 0.9445 mL | 1.8890 mL |
-
1.
Add each solvent one by one: PBS
Solubility: 100 mg/mL (188.90 mM); Clear solution; Need ultrasonic
References
- [1] 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.
- [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.
