MK-7622 is a novel, potent and highly selective positive allosteric modulator of the M1 muscarinic receptor that has entered Phase II studies in patients with Alzheimer's disease. Decades of research have been devoted to finding ligands that specifically activate the M1 muscarinic signaling pathway in order to treat various neurological and cognitive disorders.

Physicochemical Properties

Molecular Formula	C25H25N3O2
Molecular Weight	399.484905958176
Exact Mass	399.194
Elemental Analysis	C, 75.16; H, 6.31; N, 10.52; O, 8.01
CAS #	1227923-29-6
PubChem CID	46207733
Appearance	White to off-white solid powder
Density	1.3±0.1 g/cm3
Boiling Point	643.0±65.0 °C at 760 mmHg
Flash Point	342.7±34.3 °C
Vapour Pressure	0.0±2.0 mmHg at 25°C
Index of Refraction	1.687
LogP	3.37
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	30
Complexity	652
Defined Atom Stereocenter Count	2
SMILES	O=C1N([C@@H]2[C@@H](O)CCCC2)C=NC3=C1C=C(CC4=CC=C(C)N=C4)C5=CC=CC=C53
InChi Key	JUVQLZBJFOGEEO-GOTSBHOMSA-N
InChi Code	InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1
Chemical Name	3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(6-methylpyridin-3-yl)methyl]benzo[h]quinazolin-4-one
Synonyms	MK 7622; MK7622; MK-7622
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	M1 receptor
References	[1]. Dihydrobenzoquinazolinone M1 receptor positive allosteric modulators. From PCT Int. Appl. (2012), WO 2012047702 A1 20120412. [2]. Benzoquinazolinone derivatives as M1 receptor positive allosteric modulators and their preparation, pharmaceutical compositions and use in the treatment of diseases. From PCT Int. Appl. (2010), WO 2010059773 A1 20100527.
Additional Infomation	MK-7622 has been used in trials studying the treatment of Alzheimer's Disease.

Solubility Data

Solubility (In Vitro)

DMSO: ≥ 100 mg/mL (~250.3 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.26 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 25.0 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: ≥ 2.5 mg/mL (6.26 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 25.0 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: ≥ 2.5 mg/mL (6.26 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 25.0 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	2.5033 mL	12.5163 mL	25.0325 mL
	5 mM	0.5007 mL	2.5033 mL	5.0065 mL
	10 mM	0.2503 mL	1.2516 mL	2.5033 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.