Hex is an inhibitor (blocker/antagonist) of enolase, with Kis of 74.4 nM and 269.4 nM for ENO2 and ENO1 respectively.

Physicochemical Properties

Molecular Formula	C5H10NO5P
Molecular Weight	195.11
Exact Mass	195.029
CAS #	2004714-32-1
Related CAS #	POMHEX;2004714-34-3
PubChem CID	122540907
Appearance	Brown to reddish brown viscous liquid
Density	1.7±0.1 g/cm3
Boiling Point	486.8±55.0 °C at 760 mmHg
Flash Point	248.2±31.5 °C
Vapour Pressure	0.0±2.6 mmHg at 25°C
Index of Refraction	1.577
LogP	-3.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	12
Complexity	236
Defined Atom Stereocenter Count	0
SMILES	P(C1C(N(CCC1)O)=O)(=O)(O)O
InChi Key	DVZQUMSQEGOYMX-UHFFFAOYSA-N
InChi Code	InChI=1S/C5H10NO5P/c7-5-4(12(9,10)11)2-1-3-6(5)8/h4,8H,1-3H2,(H2,9,10,11)
Chemical Name	(1-hydroxy-2-oxopiperidin-3-yl)phosphonic 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 (e.g. under nitrogen), avoid exposure to moisture and light.
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

Targets	Ki: 74.4 nM (ENO2), 269.4 nM (ENO1)[1].
References	[1]. Enolase inhibitors and methods of treatment there with. WO2016145113A1.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (512.53 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (10.66 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 (10.66 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 (10.66 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	5.1253 mL	25.6266 mL	51.2531 mL
	5 mM	1.0251 mL	5.1253 mL	10.2506 mL
	10 mM	0.5125 mL	2.5627 mL	5.1253 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.