Albanol B is an arylbenzofuran analogue extracted from mulberries. Albanol B has anti-AD/Alzheimer's disease, antibacterial and antioxidant activities. Albanol B inhibits cancer cell proliferation/growth and downregulates CDK1 expression. Albanol B also induces cell cycle arrest in the G2/M phase and causes apoptosis. Albanol B induces mitochondrial ROS production and increases the phosphorylation levels of AKT and ERK1/2.

Physicochemical Properties

Molecular Formula	C34H22O8
Molecular Weight	558.53
Exact Mass	558.131
CAS #	87084-99-9
PubChem CID	480819
Appearance	Off-white to gray solid powder
Density	1.554g/cm3
Boiling Point	828.2ºC at 760 mmHg
Melting Point	248 °C
Flash Point	454.7ºC
Index of Refraction	1.796
LogP	7.256
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	42
Complexity	995
Defined Atom Stereocenter Count	0
InChi Key	SMHBZVSVLIBGGO-UHFFFAOYSA-N
InChi Code	InChI=1S/C34H22O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-15,35-39H,1H3
Chemical Name	1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol
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

ln Vitro	Albanol B (10 μM, 30 μM; 24 hours) decreases A549 cell viability [1]. In A549 and H1975 cells, albanol B (30 μM; 48 hours) produces apoptosis and suppresses the G2/M phase of the cell cycle [1]. The activation of ERK-1/2 and AKT in A549 cells is mediated by albanol B (1-30 μM; 1-9 hours) [1].
ln Vivo	In mice carrying Ex-3LL tumors, albanol B (50 mg/kg, 100 mg/kg; intraperitoneal injection; once daily for 21 days) suppresses the formation of tumors [1].
Cell Assay	Cell Viability Assay[1] Cell Types: A549 cells, BZR, NCI-H1975, and NCI-H226 cells Tested Concentrations: 0, 1, 3, 10, and 30 μM Incubation Duration: 48 hrs (hours) Experimental Results: demonstrated inhibitory effects on cancer cells with IC50s of 5.6 μM (A549), 8.9 μM (BZR), 12.7 μM (NCI-H1975), and 15 μM (NCI- H226), respectively. Cell Cycle Analysis[1] Cell Types: A549 and H1975 cells Tested Concentrations: 1, 3, 10 μM Incubation Duration: 48 hrs (hours) Experimental Results: Increased cells in G2/M phase from 9.5% to 14.34%, 18.13% and 47.9%, respectively. Western Blot Analysis[1] Cell Types: A549 cells Tested Concentrations: 1 h, 3 h, 6 h, and 9 h Incubation Duration: 48 hrs (hours) Experimental Results: Increased the phosphorylation levels of ERK1/2 and AKT in time- and concentration-dependent manners. Did not increase the phosphorylation level of JNK and p38 MAPKs.
Animal Protocol	Animal/Disease Models: EX-3LL tumor-bearing mice[1] Doses: 50 mg/kg, 100 mg/kg Route of Administration: IP; one time/day for 21 days Experimental Results: diminished tumor volume and weight by 48.0% and 41.0% (for 50 mg/kg treatment), and 61.3% and 57.3% (for 100 mg/kg treatment), respectively.
References	[1]. Albanol B from Mulberries Exerts Anti-Cancer Effect through Mitochondria ROS Production in Lung Cancer Cells and Suppresses In Vivo Tumor Growth. Int J Mol Sci. 2020 Dec 14;21(24):9502.
Additional Infomation	Albanol B is a member of benzofurans. Albanol B has been reported in Morus lhou, Morus mongolica, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.7904 mL	8.9521 mL	17.9041 mL
	5 mM	0.3581 mL	1.7904 mL	3.5808 mL
	10 mM	0.1790 mL	0.8952 mL	1.7904 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.