2,4,6-Trihydroxybenzoic acid, a flavonoid metabolite, is a CDK inhibitor. 2,4,6-Trihydroxybenzoic acid may be utilized in cancer-related research.

Physicochemical Properties

Molecular Formula	C7H6O5
Molecular Weight	170.1195
Exact Mass	170.021
CAS #	83-30-7
PubChem CID	66520
Appearance	Off-white to light yellow solid powder
Density	1.7±0.1 g/cm3
Boiling Point	426.5±30.0 °C at 760 mmHg
Melting Point	~210 °C (dec.)
Flash Point	225.9±21.1 °C
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.730
LogP	1.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	12
Complexity	169
Defined Atom Stereocenter Count	0
InChi Key	IBHWREHFNDMRPR-UHFFFAOYSA-N
InChi Code	InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)
Chemical Name	2,4,6-trihydroxybenzoic 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]. The Flavonoid Metabolite 2,4,6-Trihydroxybenzoic Acid Is a CDK Inhibitor and an Anti-Proliferative Agent: A Potential Role in Cancer Prevention. Cancers (Basel). 2019 Mar 26;11(3):427.
Additional Infomation	2,4,6-Trihydroxybenzoic acid is a hydroxybenzoic acid.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~587.82 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (14.70 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 (14.70 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 (14.70 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	5.8782 mL	29.3910 mL	58.7820 mL
	5 mM	1.1756 mL	5.8782 mL	11.7564 mL
	10 mM	0.5878 mL	2.9391 mL	5.8782 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.