Leramistat (HMC-C-01-A; MBS2320) is a mitochondrial complex 1 inhibitor involved in the regulation of cellular metabolism and immunometabolism. Leramistat inhibits skin diseases such as atopic dermatitis, autoimmune diseases, inflammatory diseases, and cancer; it can also inhibit osteoclast-mediated diseases.

Physicochemical Properties

Molecular Formula	C20H21CLN2O3S
Molecular Weight	404.910342931747
Exact Mass	404.096
CAS #	1642602-54-7
PubChem CID	86566705
Appearance	Off-white to light yellow solid powder
LogP	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	27
Complexity	652
Defined Atom Stereocenter Count	0
InChi Key	PHOYDFRXZMNHIF-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H21ClN2O3S/c1-20(24)10-8-17(9-11-20)23-27(25,26)18-5-2-14(3-6-18)19-7-4-16(21)12-15(19)13-22/h2-7,12,17,23-24H,8-11H2,1H3
Chemical Name	4-(4-chloro-2-cyanophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide
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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.
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	mitochondrial complex 1[1]
References	[1]. Patel, et al. Preparation of N-(4-hydroxy-4-methyl-cyclohexyl)-4-phenyl-benzenesulfonamides and N-(4-hydroxy-4-methyl-cyclohexyl)-4-(2-pyridyl)benzenesulfonamides and their therapeutic use. World Intellectual Property Organization, WO2014207445 A1 2014-12-31.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (246.97 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.17 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 (6.17 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	2.4697 mL	12.3484 mL	24.6968 mL
	5 mM	0.4939 mL	2.4697 mL	4.9394 mL
	10 mM	0.2470 mL	1.2348 mL	2.4697 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.