(S)-ZINC-3573 is the inactive enantiomer of ZINC-3573. (R)-ZINC-3573 is a selective MRGPRX2 agonist. (S)-ZINC-3573 and (R)-ZINC-3573 are effective internal control probes for studying the bioactivities of primate-unique receptors.

Physicochemical Properties

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)

Biological Activity

ln Vitro	(S)-ZINC-3573 does not exhibit any activity on MRGPRX2 when the concentration is less than 100 μM[1].
ln Vivo	(R)-ZINC-3573 negative control
References	[1]. In silico design of novel probes for the atypical opioid receptor MRGPRX2. Nat Chem Biol. 2017 May;13(5):529-536.

Solubility Data

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.