(Rac)-NMDAR antagonist 1 is the racemate of NMDAR antagonist 1. NMDAR antagonist 1 is a potent, orally bioavailable, NR2B-selective NMDAR antagonist.

Physicochemical Properties

Molecular Formula	C20H20BRN3O2
Molecular Weight	414.30
Exact Mass	413.073
CAS #	2435557-99-4
Related CAS #	NMDAR antagonist 1;2220162-06-9
PubChem CID	137333444
Appearance	White to gray solid powder
Density	1.54±0.1 g/cm3(Predicted)
LogP	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	26
Complexity	547
Defined Atom Stereocenter Count	0
InChi Key	NCHFPVRYYJGAJY-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H20BrN3O2/c21-15-3-6-17-14(11-15)12-24-18(7-8-19(24)23-17)20(26)22-10-9-13-1-4-16(25)5-2-13/h1-6,11,18,25H,7-10,12H2,(H,22,26)
Chemical Name	7-bromo-N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide
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

Targets	NMDAR[1]
References	[1]. Design, synthesis and bioevaluation of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid derivatives as potent neuroprotective agents. Eur J Med Chem. 2018 May 10;151:27-38.

Solubility Data

Solubility (In Vitro)

DMSO: 5 mg/mL (12.07 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.5 mg/mL (1.21 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 5.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL 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: ≥ 0.5 mg/mL (1.21 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 5.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.4137 mL	12.0685 mL	24.1371 mL
	5 mM	0.4827 mL	2.4137 mL	4.8274 mL
	10 mM	0.2414 mL	1.2069 mL	2.4137 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.