[CAS NO. 1609563-71-4] (1R,2R)-2-PCCA hydrochloride
PRODUCTS SPECIFICATIONS [1609563-71-4]
DESCRIPTION [1609563-71-4]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 528.56 |
| Molecular Formula | C30H39Cl2N3O |
| SMILES | CCCC1=CC=C(C2=CC=C(N(C[C@@H](N)[C@@H](C)CC)C([C@H]3[C@H](C4=CC=CC=N4)C3)=O)C=C2)C=C1.[H]Cl.[H]Cl |
1 Publications Citing Use of MCE
Summary
(1R,2R)-2-PCCA hydrochloride is a diastereomer of 2-PCCA, and acts as a potent GPR88 receptor agonist, with an EC 50 of 3 nM in cell-free assay, and 603 nM in cell assay.
In Vitro
(1R,2R)-2-PCCA (Example 3) is a potent GPR88 receptor agonist, with an EC 50 of 3 nM in cell-free assay, and 603 nM in cell assay [1] [2] . (1R,2R)-2-PCCA inhibits GPR88-mediated cAMP production through a Gαi-coupled pathway, with an EC 50 of 56 nM in HEK293 cells stably expressing the human GPR88 receptor and the GloSensor-22F cAMP construct [2] .
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
4°C, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
Solvent & Solubility
DMSO : 50 mg/mL ( 94.60 mM ; Need ultrasonic)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 1.8919 mL | 9.4597 mL | 18.9193 mL |
| 5 mM | 0.3784 mL | 1.8919 mL | 3.7839 mL |
| 10 mM | 0.1892 mL | 0.9460 mL | 1.8919 mL |
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Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline)
Solubility: ≥ 2.5 mg/mL (4.73 mM); Clear solution
References
- [1] Bi, Yingzhi, et al. Modulators of G Protein-Coupled Receptor 88. US 20110251204 A1.
- [2] Jin C, et al. Synthesis, pharmacological characterization, and structure-activity relationship studies of small molecular agonists for the orphan GPR88 receptor. ACS Chem Neurosci. 2014 Jul 16;5(7):576-87.
- [3] Jin C, et al. Effect of Substitution on the Aniline Moiety of the GPR88 Agonist 2-PCCA: Synthesis, Structure-Activity Relationships, and Molecular Modeling Studies. ACS Chem Neurosci. 2016 Oct 19;7(10):1418-1432.