Velufenacin is an antagonist of muscarinic receptors.

Physicochemical Properties

Molecular Formula	C19H20CLFN2O2
Molecular Weight	362.829
Exact Mass	362.119
Elemental Analysis	C, 62.90; H, 5.56; Cl, 9.77; F, 5.24; N, 7.72; O, 8.82
CAS #	1648737-78-3
PubChem CID	121425461
Appearance	White to off-white solid powder
Density	1.3±0.1 g/cm3
Boiling Point	444.9±35.0 °C at 760 mmHg
Flash Point	222.8±25.9 °C
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.589
LogP	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	25
Complexity	453
Defined Atom Stereocenter Count	1
SMILES	ClC1=C(C([H])=C([H])C(=C1[H])C1=C([H])C([H])=C([H])C([H])=C1N([H])C(=O)OC([H])([H])[C@@]1([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])F
InChi Key	SYBGVVSJNMTWCI-CYBMUJFWSA-N
InChi Code	InChI=1S/C19H20ClFN2O2/c1-23-9-8-13(11-23)12-25-19(24)22-18-5-3-2-4-15(18)14-6-7-17(21)16(20)10-14/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,24)/t13-/m1/s1
Chemical Name	[(3R)-1-methylpyrrolidin-3-yl]methyl (3'-chloro-4'-fluoro[1,1'-biphenyl]-2-yl)carbamate
Synonyms	Velufenacin
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]. International Nonproprietary Names for Pharmaceutical Substances (INN). WHO Drug Information, Vol. 33, No. 4, 2019.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~275.61 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.89 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 (6.89 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 (6.89 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	2.7561 mL	13.7806 mL	27.5611 mL
	5 mM	0.5512 mL	2.7561 mL	5.5122 mL
	10 mM	0.2756 mL	1.3781 mL	2.7561 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.