A29504 is an ethyl carbamate with gamma-aminobutyric acid (GABAA) receptor activity. AA29504 inhibits the transmission of the neurotransmitter gamma-aminobutyric acid in the central nervous system/CNS. AA29504 may be utilized in research to treat neuropsychiatric diseases such as anxiety and insomnia.

Physicochemical Properties

Molecular Formula	C19H25N3O2
Molecular Weight	327.42
Exact Mass	327.195
CAS #	945828-50-2
PubChem CID	23188887
Appearance	Typically exists as solid at room temperature
Density	1.183±0.06 g/cm3 (20 °C, 760 mmHg)
Boiling Point	469.6±45.0 °C (760 mmHg)
LogP	5.101
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	24
Complexity	392
Defined Atom Stereocenter Count	0
SMILES	CCOC(NC1=CC=C(NCC2=C(C)C=C(C)C=C2C)C=C1N)=O
InChi Key	SCOOTUMXCXKEAD-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H25N3O2/c1-5-24-19(23)22-18-7-6-15(10-17(18)20)21-11-16-13(3)8-12(2)9-14(16)4/h6-10,21H,5,11,20H2,1-4H3,(H,22,23)
Chemical Name	ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate
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 Vitro	In Xenopus oocytes, AA29504 (0.1, 1, 10, 100 μM, 72 h) can open the Kv7 voltage-gated potassium ion (KCNQ) channel [1]. EC501.4 μM of GABAA receptors expressed in Xenopus laevis oocytes is positively regulated by AA29504 (1 μM)[1]. In pyramidal neurons of the prefrontal cortex, gaboxadol-induced currents are markedly enhanced by AA29504 (1 μM, 10 s) [1].
ln Vivo	Male SD (Spraguee Dawley) rats are subjected to subcutaneous injections of AA29504 (0.5, 2 or 4 mg/kg) to induce anxiolytic effects[1]. Male SD rats' motor coordination is markedly impaired by AA29504 (4 mg/kg, subcutaneous injection) when combined with the synergistic effects of ethanol[1]. In male Vesta rats, AA29504 (10 mg/kg, subcutaneous injection) shows a protective effect against amygdala-triggered seizures[1].
Animal Protocol	Animal/Disease Models: Male Spraguee Dawley rats[1] Doses: 0.5, 2 or 4 mg/kg Route of Administration: subcutaneous (sc) injections Experimental Results: decreased the number of vocalizations at 4 mg/kg and reversed partially the freezing behavior at 2 mg/kg. Animal/Disease Models: Male Spraguee Dawley rats[1] Doses: 4 mg/kg Route of Administration: subcutaneous (sc) injections Experimental Results: decreased the time the rats stayed on the rotarod at 4 mg/kg. Animal/Disease Models: Male Wistar rats[1] Doses: 10 mg/kg Route of Administration: subcutaneous (sc) injections Experimental Results: decreased from 4.9 to 2.0 in amygdala kindled seizures response.
References	[1]. Pharmacological characterization of a novel positive modulator at alpha 4 beta 3 delta-containing extrasynaptic GABA(A) receptors. Neuropharmacology. 2010 Mar-Apr;58(4-5):702-11.

Solubility Data

Solubility (In Vitro)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.0542 mL	15.2709 mL	30.5418 mL
	5 mM	0.6108 mL	3.0542 mL	6.1084 mL
	10 mM	0.3054 mL	1.5271 mL	3.0542 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.