Roluperidone (formerly also known as CYR-101, MIN-101, CYR101, and MT-210) is a novel and potent cyclic amide derivative with-schizophrenia effects. It has strong equipotent affinities for sigma-2 and 5-HT2A receptors, with Ki values of 8.19 nM and 7.53 nM for sigma-2 and 5-HT2A, respectively. Being an antagonist of both sigma 2 and 5-HT2A receptors, it may find application in the management of schizophrenia.

Physicochemical Properties

Molecular Formula	C22H23FN2O2
Molecular Weight	366.4286
Exact Mass	366.174
Elemental Analysis	C, 72.11; H, 6.33; F, 5.18; N, 7.64; O, 8.73
CAS #	359625-79-9
PubChem CID	9799284
Appearance	White to yellow solid powder
Density	1.2±0.1 g/cm3
Boiling Point	551.7±50.0 °C at 760 mmHg
Flash Point	287.4±30.1 °C
Vapour Pressure	0.0±1.5 mmHg at 25°C
Index of Refraction	1.593
LogP	2.59
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	27
Complexity	538
Defined Atom Stereocenter Count	0
SMILES	FC1C([H])=C([H])C(=C([H])C=1[H])C(C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])N2C(C3=C([H])C([H])=C([H])C([H])=C3C2([H])[H])=O)C([H])([H])C1([H])[H])=O
InChi Key	RNRYULFRLCBRQS-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H23FN2O2/c23-19-7-5-17(6-8-19)21(26)15-24-11-9-16(10-12-24)13-25-14-18-3-1-2-4-20(18)22(25)27/h1-8,16H,9-15H2
Chemical Name	2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
Synonyms	MT-210; MIN101; CYR-101; MT 210; MIN 101; CYR 101; MT210; MIN-101; CYR101; Roluperidone
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 Note: This product is not stable in solution, please use freshly prepared working solution for optimal results.
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	5-HT2A Receptor ( Ki = 7.53 nM ); Sigma-2 Receptor ( Ki = 8.19 nM )
ln Vitro	Roluperidone (CYR-101) additionally exhibits α1-adrenergic receptor binding affinity, but little to no affinity for histamine, cholinergic, or muscarinic receptors. Despite the lack of affinity for pre- or postsynaptic dopaminergic receptors, roluperidone (CYR-101) is likely associated with sigma-2 receptors that are involved in the modulation of glutamatergic and dopaminergic pathways as well as calcium neuronal modulation[1].
References	[1]. Efficacy and Safety of MIN-101: A 12-Week Randomized, Double-Blind, Placebo-Controlled Trial of a New Drug in Development for the Treatment of Negative Symptoms in Schizophrenia. Am J Psychiatry. 2017 Jul 28:appiajp201717010122.
Additional Infomation	Roluperidone has been used in trials studying the treatment of Schizophrenia.

Solubility Data

Solubility (In Vitro)

DMSO: ~33.33 mg/mL (~91.0 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 3 mg/mL (8.19 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 30.0 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: ≥ 3 mg/mL (8.19 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 30.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 3: ≥ 2.5 mg/mL (6.82 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.7290 mL	13.6452 mL	27.2903 mL
	5 mM	0.5458 mL	2.7290 mL	5.4581 mL
	10 mM	0.2729 mL	1.3645 mL	2.7290 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.