Cotosudil is a ROCK kinase inhibitor used in glaucoma or ocular hypertension research.

Physicochemical Properties

Molecular Formula	C16H21N3O2S
Molecular Weight	319.421842336655
Exact Mass	319.135
CAS #	1258833-31-6
Related CAS #	1258833-31-6;1258832-72-2 (2HCl);
PubChem CID	49847659
Appearance	White to off-white solid powder
LogP	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	22
Complexity	463
Defined Atom Stereocenter Count	1
SMILES	S(C1C=CC2C=NC=CC=2C=1)(N1CCCCNC[C@H]1C)(=O)=O
InChi Key	OIJDBECSPSHUGA-CYBMUJFWSA-N
InChi Code	InChI=1S/C16H21N3O2S/c1-13-11-17-7-2-3-9-19(13)22(20,21)16-5-4-15-12-18-8-6-14(15)10-16/h4-6,8,10,12-13,17H,2-3,7,9,11H2,1H3/t13-/m1/s1
Chemical Name	6-[[(2R)-2-methyl-1,4-diazocan-1-yl]sulfonyl]isoquinoline
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

References

[1]. Prophylactic or therapeutic agent for glaucoma or ocular hypertension. JP2013035802A.

Solubility Data

Solubility (In Vitro)

DMSO : 50 mg/mL (156.53 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.83 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 (7.83 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 (7.83 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	3.1307 mL	15.6534 mL	31.3067 mL
	5 mM	0.6261 mL	3.1307 mL	6.2613 mL
	10 mM	0.3131 mL	1.5653 mL	3.1307 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.