Glabrescione B is the first compound to bind to the Hedgehog (Hh) regulator Gli1 and impair its activity by interfering with Gli1-DNA interactions. Glabrescione B suppresses the growth of Hedgehog-dependent tumor cells and inhibits the self-renewal and cloning abilities of tumor-derived stem cells.

Physicochemical Properties

Molecular Formula	C27H30O6
Molecular Weight	450.52
Exact Mass	450.204
CAS #	65893-94-9
PubChem CID	44257338
Appearance	White to off-white solid powder
LogP	6.167
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	33
Complexity	746
Defined Atom Stereocenter Count	0
InChi Key	RHXDATRKLOYVTC-UHFFFAOYSA-N
InChi Code	InChI=1S/C27H30O6/c1-17(2)9-11-31-22-8-7-19(13-23(22)32-12-10-18(3)4)21-16-33-25-15-20(29-5)14-24(30-6)26(25)27(21)28/h7-10,13-16H,11-12H2,1-6H3
Chemical Name	3-[3,4-bis(3-methylbut-2-enoxy)phenyl]-5,7-dimethoxychromen-4-one
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

Targets	Gli1-DNA Interaction[1]
ln Vitro	Glabrescione B (5 μM; 24-72 hours) suppresses the proliferation of Gli-dependent basal cell carcinoma[2]. Glabrescione B (1-10 μM; 24-48 hours) reduces Gli1 mRNA expression levels[2].
Cell Assay	Cell Proliferation Assay [1] Cell Types: ASZ001 BCC cells Tested Concentrations: 5 μM Incubation Duration: 24-72 hrs (hours) Experimental Results: Basal cell carcinoma cell proliferation was impaired. Western Blot Analysis[1] Cell Types: ASZ001 BCC cells Tested Concentrations: 1-10 μM Incubation Duration: 24-48 hrs (hours) Experimental Results: Gli1 mRNA expression levels was decreased.
Animal Protocol	Animal/Disease Models: Female NOD/SCID (severe combined immunodeficient) mouse (ASZ001 BCC allografts)[2] Doses: 100 μmol/kg Route of Administration: Ip; every second day for 18 days Experimental Results: A significant reduction of tumor growth as well as Gli1 mRNA levels was observed.
References	[1]. Polymeric glabrescione B nanocapsules for passive targeting of Hedgehog-dependent tumor therapy in vitro. Nanomedicine (Lond). 2017;12(7):711-728. [2]. Gli1/DNA interaction is a druggable target for Hedgehog-dependent tumors. EMBO J. 2015;34(2):200-217.
Additional Infomation	Glabrescione B is a methoxyisoflavone.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (221.97 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (5.55 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 (5.55 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (5.55 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	2.2197 mL	11.0983 mL	22.1966 mL
	5 mM	0.4439 mL	2.2197 mL	4.4393 mL
	10 mM	0.2220 mL	1.1098 mL	2.2197 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.