N-Demethyl MK-6884 (compound 34) is a potent allosteric modulator of M4 mAChR. N-Demethyl MK-6884 may be utilized to study AD/Alzheimer's disease and other diseases mediated by M4 mAChR.

Physicochemical Properties

Molecular Formula	C24H23N5O
Molecular Weight	397.472324609756
Exact Mass	397.19
CAS #	2102194-36-3
PubChem CID	129301903
Appearance	Light yellow to light brown solid powder
LogP	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	30
Complexity	695
Defined Atom Stereocenter Count	0
InChi Key	UJZZUFNAQWAFMJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H23N5O/c1-24(8-2-3-9-24)15-29-14-18(13-27-29)20-7-6-19(11-25)28-22(20)16-4-5-17-12-26-23(30)21(17)10-16/h4-7,10,13-14H,2-3,8-9,12,15H2,1H3,(H,26,30)
Chemical Name	5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile
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	M4 mAChR[1].
References	[1]. 3- (1h-pyrazol-4-yl) pyridineallosteric modulators of the m4 muscarinic acetylcholine receptor. Patent WO2017107089A1.

Solubility Data

Solubility (In Vitro)

DMSO: 31.25 mg/mL (78.62 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.23 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 20.8 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: ≥ 2.08 mg/mL (5.23 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (5.23 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 20.8 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	2.5159 mL	12.5796 mL	25.1591 mL
	5 mM	0.5032 mL	2.5159 mL	5.0318 mL
	10 mM	0.2516 mL	1.2580 mL	2.5159 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.