Valiloxibic acid is the precursor active molecule of gamma-hydroxybutyric acid (GHB). GHB is a naturally occurring neurotransmitter and psychoactive molecule that acts on GHB receptors and is a weak agonist of GABAB receptors.

Physicochemical Properties

Molecular Formula	C9H17NO4
Molecular Weight	203.24
Exact Mass	203.115
CAS #	238401-16-6
PubChem CID	54274194
Appearance	White to off-white solid powder
Density	1.1±0.1 g/cm3
Boiling Point	339.0±22.0 °C at 760 mmHg
Flash Point	158.8±22.3 °C
Vapour Pressure	0.0±1.6 mmHg at 25°C
Index of Refraction	1.475
LogP	0.42
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	14
Complexity	203
Defined Atom Stereocenter Count	1
SMILES	CC(C)[C@@H](C(=O)OCCCC(=O)O)N
InChi Key	RMGPNQKZEPTAOC-QMMMGPOBSA-N
InChi Code	InChI=1S/C9H17NO4/c1-6(2)8(10)9(13)14-5-3-4-7(11)12/h6,8H,3-5,10H2,1-2H3,(H,11,12)/t8-/m0/s1
Chemical Name	4-[(2S)-2-amino-3-methylbutanoyl]oxybutanoic acid
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]. Xiang, Jia-Ning; Xu, Xuesong; Zhang, Xuan.Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof.WO2017049470A1.

Solubility Data

Solubility (In Vitro)

DMSO: 125 mg/mL (615.04 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (10.23 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 (10.23 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 (10.23 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	4.9203 mL	24.6015 mL	49.2029 mL
	5 mM	0.9841 mL	4.9203 mL	9.8406 mL
	10 mM	0.4920 mL	2.4601 mL	4.9203 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.