(S)-Leucic acid is an amino acid (AA) metabolite.

Physicochemical Properties

Molecular Formula	C₆H₁₂O₃
Molecular Weight	132.16
Exact Mass	132.079
CAS #	20312-37-2
PubChem CID	439960
Appearance	White to off-white solid powder
Density	1.763g/cm3
Boiling Point	673.6ºC at 760mmHg
Flash Point	375.2ºC
Vapour Pressure	0.00324mmHg at 25°C
Index of Refraction	1.457
LogP	0.478
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	9
Complexity	98.5
Defined Atom Stereocenter Count	1
SMILES	CC(C)C[C@H](C(=O)O)O
InChi Key	LVRFTAZAXQPQHI-RXMQYKEDSA-N
InChi Code	InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1
Chemical Name	(2R)-2-hydroxy-4-methylpentanoic acid
Synonyms	(R)Leucic acid; (R) Leucic 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]. Total Synthesis and Anti-Tubulin Activity of Epi-C3 Analogues of Cryptophycin-24. Journal of Medicinal Chemistry, 2004. 47(14), 3697–3699.

Additional Infomation

(R)-2-hydroxy-4-methylpentanoic acid is the (R)-enantiomer of 2-hydroxy-4-methylpentanoic acid. Found in patients with short-bowel syndrome (an inborn error of metabolism), and in maple syrup urine disease, MSUD. It is a (2R)-2-hydroxy monocarboxylic acid and a 2-hydroxy-4-methylvaleric acid. It is a conjugate acid of a (R)-2-hydroxy-4-methylpentanoate. It is an enantiomer of a (S)-2-hydroxy-4-methylpentanoic acid. (R)-2-Hydroxy-4-methylpentanoic acid has been reported in Homo sapiens, Euglena gracilis, and Caenorhabditis elegans with data available.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~756.66 mM) H2O : ~100 mg/mL (~756.66 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (18.92 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 (18.92 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 (18.92 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. Solubility in Formulation 4: 33.33 mg/mL (252.19 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	7.5666 mL	37.8329 mL	75.6659 mL
	5 mM	1.5133 mL	7.5666 mL	15.1332 mL
	10 mM	0.7567 mL	3.7833 mL	7.5666 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.