(2S)-Octyl-α-hydroxyglutarate is a modification of the S-isomer of 2-Hydroxyglutarate.

Physicochemical Properties

Molecular Formula	C13H24O5
Molecular Weight	260.3267
Exact Mass	260.162
CAS #	1391194-64-1
PubChem CID	71749056
Appearance	White to off-white solid powder
Density	1.1±0.1 g/cm3
Boiling Point	420.5±35.0 °C at 760 mmHg
Flash Point	152.3±19.4 °C
Vapour Pressure	0.0±2.2 mmHg at 25°C
Index of Refraction	1.473
LogP	3.03
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Heavy Atom Count	18
Complexity	240
Defined Atom Stereocenter Count	1
SMILES	O(C([C@]([H])(C([H])([H])C([H])([H])C(=O)O[H])O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
InChi Key	UJZOKTKSGUOCCM-NSHDSACASA-N
InChi Code	InChI=1S/C13H24O5/c1-2-3-4-5-6-7-10-18-13(17)11(14)8-9-12(15)16/h11,14H,2-10H2,1H3,(H,15,16)/t11-/m0/s1
Chemical Name	(4S)-4-hydroxy-5-octoxy-5-oxopentanoic 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
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	When (2S)-octyl-α-hydroxyglutarate, a modified form of 2-hydroxyglutarate with high cellular uptake, is treated with IDH1-WT HeLa cells, it causes a dose-dependent DSB in log-phase cells and increases sex [1].
References	[1]. Sulkowski PL, et al. 2-Hydroxyglutarate produced by neomorphic IDH mutations suppresses homologousrecombination and induces PARP inhibitor sensitivity. Sci Transl Med. 2017 Feb 1;9(375).

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~384.13 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (9.60 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 (9.60 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 (9.60 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	3.8413 mL	19.2064 mL	38.4128 mL
	5 mM	0.7683 mL	3.8413 mL	7.6826 mL
	10 mM	0.3841 mL	1.9206 mL	3.8413 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.