| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg |
|
||
| Other Sizes |
| ln Vitro |
(S)-ZINC-3573 does not exhibit any activity on MRGPRX2 when the concentration is less than 100 μM[1].
(S)-ZINC-3573 showed little activity at concentrations below 100 µM in the PRESTO-Tango β-arrestin recruitment assay for MRGPRX2. [1] In the intracellular calcium mobilization assay, (S)-ZINC-3573 exhibited minimal activity below concentrations of 100 µM. [1] (S)-ZINC-3573 did not promote degranulation in LAD2 human mast cells, in contrast to its active enantiomer (R)-ZINC-3573. [1] |
|---|---|
| ln Vivo |
(R)-ZINC-3573 negative control
|
| Cell Assay |
PRESTO-Tango β-arrestin recruitment assay: Cells expressing the MRGPRX2-Tango construct (a β-arrestin2-TEV fusion and a tTA-dependent luciferase reporter system) were plated in 384-well plates. The next day, cells were treated with serial dilutions of test compound. After 18-24 hours of incubation, medium was removed, and a luciferase substrate was added. Luminescence was measured after incubation at room temperature. Data were analyzed as relative luminescent units. [1]
Intracellular calcium mobilization assay: A tetracycline-inducible stable cell line expressing MRGPRX2 was used. Cells were plated in black 384-well plates in medium containing tetracycline to induce receptor expression. After 24 hours, cells were loaded with a calcium-sensitive fluorescent dye for 1 hour. Baseline fluorescence was measured, then cells were treated with test compounds. Fluorescence was monitored for an additional time. Data were analyzed to determine changes in intracellular calcium. [1] β-hexosaminidase degranulation assay (for mast cells): LAD2 human mast cells were washed and seeded in V-bottom 96-well plates in buffer. Test compounds diluted in buffer were added to the cells and incubated for 30 minutes. Plates were then centrifuged. A portion of the supernatant was transferred to a new plate and mixed with a substrate solution (4-nitrophenyl N-acetyl-β-D-glucosaminide in citrate buffer). The remaining cell pellet was lysed with buffer containing detergent, and a portion of the lysate was also mixed with substrate. All plates were incubated for 90 minutes. The reaction was stopped by adding a bicarbonate buffer, and the absorbance was measured at 405 nm. Percent degranulation was calculated as (released enzyme activity / total enzyme activity) × 100, with vehicle control values subtracted. [1] |
| References | |
| Additional Infomation |
(S)-ZINC-3573 is the S-enantiomer of the racemic compound ZINC-3573 (also known as ZINC-72453573). It was synthesized as an inactive control of the active R-enantiomer (R)-ZINC-3573, a selective MRGPRX2 agonist. [1] The presence of active (R)-ZINC-3573 and essentially inactive (S)-ZINC-3573 constitutes a pair of valuable chemical probes. This allows researchers to distinguish between MRGPRX2-specific effects (mediated by the R-enantiomer) and potential nonspecific or backbone-related effects (potentially caused by either enantiomer). [1] (S)-ZINC-3573 and (R)-ZINC-3573 were tested against 315 other human GPCRs using the PRESTO-Tango GPCRome screening platform. Preliminary screening results showed that both enantiomers could activate 21 receptors, with activation folds of 2 or higher. However, subsequent concentration-effect studies confirmed that (S)-ZINC-3573 did not significantly activate any other receptors. [1] The compound has been synthesized and characterized. Its purity was confirmed to be >95% by high performance liquid chromatography (HPLC). [1]
|
| Molecular Formula |
C18H21N5
|
|---|---|
| Molecular Weight |
307.392843008041
|
| Exact Mass |
307.18
|
| Elemental Analysis |
C, 70.33; H, 6.89; N, 22.78
|
| CAS # |
2095596-11-3
|
| PubChem CID |
95882508
|
| Appearance |
Light yellow to yellow solid powder
|
| LogP |
2.7
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
23
|
| Complexity |
395
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
CN(C)[C@H]1CCN(C1)C2=CC(=NC3=CC=NN32)C4=CC=CC=C4
|
| InChi Key |
XKBSPAZCFAIBJL-HNNXBMFYSA-N
|
| InChi Code |
InChI=1S/C18H21N5/c1-21(2)15-9-11-22(13-15)18-12-16(14-6-4-3-5-7-14)20-17-8-10-19-23(17)18/h3-8,10,12,15H,9,11,13H2,1-2H3/t15-/m0/s1
|
| Chemical Name |
(3S)-N,N-dimethyl-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine
|
| Synonyms |
(S)-ZINC3573; (S)-ZINC 3573; (S)-ZINC-3573
|
| 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 (In Vitro) |
DMSO: ~50 mg/mL (~162.7 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.83 mg/mL (2.70 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 8.3 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 0.83 mg/mL (2.70 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 8.3 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2532 mL | 16.2660 mL | 32.5320 mL | |
| 5 mM | 0.6506 mL | 3.2532 mL | 6.5064 mL | |
| 10 mM | 0.3253 mL | 1.6266 mL | 3.2532 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.
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.
|
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
