N-[(1R)-4-[(Aminoiminomethyl)amino]-1-[[[(1R)-1-(4-hydroxyphenyl)ethyl]amino]carbonyl]butyl]-α-phenylbenzeneacetamide is an anticonvulsant (antiepileptic/antiseizure) , may be used for studying generalized tonic and partial seizures.

Physicochemical Properties

Molecular Formula	C13H12CLN3O
Molecular Weight	261.706881523132
Exact Mass	261.067
CAS #	97627-24-2
PubChem CID	130178
Appearance	White to off-white solid powder
LogP	3.122
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	18
Complexity	281
Defined Atom Stereocenter Count	0
InChi Key	ZSBWDKCIIZYQIR-UHFFFAOYSA-N
InChi Code	InChI=1S/C13H12ClN3O/c1-9-3-2-4-11(14)12(9)17-13(18)16-10-5-7-15-8-6-10/h2-8H,1H3,(H2,15,16,17,18)
Chemical Name	1-(2-chloro-6-methylphenyl)-3-pyridin-4-ylurea
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

ln Vivo

In preliminary tests, the chemical exhibited anticonvulsant action at a dose of 30 mg/kg; ataxia did not manifest until a dose of 300 mg/kg. Four hours after treatment, the 30 mg/kg 37 activity persisted. The substance prevented mice from experiencing clonic seizures brought on by the convulsant pentylenetetrazole, but it proved ineffective against seizures brought on by maximum electric shocks. Based on their overall pharmacological profile, the substances might be helpful in treating partial seizures and generalized tonic-clonic seizures. Choose substances to test in clinical trials [1].

References

[1]. N-Phenyl-N'-pyridinylureas as Anticonvulsant Agents. J. Med. Chem. 1990,33, 854-861.

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~477.63 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (7.95 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 (7.95 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 (7.95 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	3.8210 mL	19.1051 mL	38.2102 mL
	5 mM	0.7642 mL	3.8210 mL	7.6420 mL
	10 mM	0.3821 mL	1.9105 mL	3.8210 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.