Cimlanod (BMS-986231) is a second-generation nitro (HNO) donor studied in heart failure. Cimlanod delivers HNO via pH-dependent chemical breakdown at neutral blood pH. Cimlanod has positive inotropic and vasodilatory effects.

Physicochemical Properties

Molecular Formula	C5H7NO4S
Molecular Weight	177.178380250931
Exact Mass	177.009
CAS #	1620330-72-4
PubChem CID	76685198
Appearance	White to yellow solid powder
Density	1.5±0.1 g/cm3
Boiling Point	351.6±44.0 °C at 760 mmHg
Flash Point	166.5±28.4 °C
Vapour Pressure	0.0±0.8 mmHg at 25°C
Index of Refraction	1.543
LogP	-0.27
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	11
Complexity	219
Defined Atom Stereocenter Count	0
SMILES	S(C1=CC=C(C)O1)(NO)(=O)=O
InChi Key	LIXKIXWSKOENAB-UHFFFAOYSA-N
InChi Code	InChI=1S/C5H7NO4S/c1-4-2-3-5(10-4)11(8,9)6-7/h2-3,6-7H,1H3
Chemical Name	N-hydroxy-5-methylfuran-2-sulfonamide
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

Additional Infomation

Cimlanod is under investigation in clinical trial NCT02819271 (A First-in-Human Study of the Safety of Single Continuous Intravenous (IV) Infusions of CXL-1427 for up to 48 Hours in Healthy Volunteers).

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~705.50 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (11.74 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 (11.74 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 (11.74 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	5.6440 mL	28.2199 mL	56.4398 mL
	5 mM	1.1288 mL	5.6440 mL	11.2880 mL
	10 mM	0.5644 mL	2.8220 mL	5.6440 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.