Bafilomycin C1 is a macrolide antibiotic (antibiotic) extracted from Streptomyces sp. Bafilomycin C1 is a potent, specific, and reversible inhibitor of vacuolar-type H+-ATPases. Bafilomycin C1 suppresses the growth of Gram-positive (Gram+) bacteria (bacteria) and fungi (fungi). Bafilomycin C1 can cause apoptosis and may be utilized in the study of hepatocellular carcinoma (HCC).

Physicochemical Properties

Molecular Formula	C39H60O12
Molecular Weight	720.89
Exact Mass	720.408
CAS #	88979-61-7
PubChem CID	129396804
Appearance	White to off-white solid powder
Density	1.18 g/cm3
Boiling Point	844.4ºC at 760 mmHg
Flash Point	248.9ºC
Index of Refraction	1.544
LogP	4.884
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	11
Heavy Atom Count	51
Complexity	1350
Defined Atom Stereocenter Count	12
SMILES	C[C@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)OC(=O)/C=C/C(=O)O)O)O)OC)/C
InChi Key	WUDBXVQNMOTFEE-ZXXPJKRZSA-N
InChi Code	InChI=1S/C39H60O12/c1-21(2)36-26(7)31(49-33(42)16-15-32(40)41)20-39(46,51-36)28(9)35(44)27(8)37-29(47-10)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-30(48-11)38(45)50-37/h12-16,18-19,21,24-29,31,34-37,43-44,46H,17,20H2,1-11H3,(H,40,41)/b14-12+,16-15+,22-13+,23-18+,30-19-/t24-,25+,26-,27-,28-,29-,31+,34-,35+,36+,37+,39+/m0/s1
Chemical Name	(E)-4-[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl]oxy-4-oxobut-2-enoic 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

Targets	Macrolide
ln Vitro	In a time and dose-dependent manner, bafilomycin C1 (0.33-10 μM; 6 days) suppresses the growth and proliferation of HepG2 and SMMC7721 cells[2]. In both mRNA and protein expression, bafilomycin C1 (0.33-3.3 μM; 24 hours) reduces the expression of cyclin D3, cyclin E1, CDK2, CDK4, and CDK6 in SMMC7721 cells[2]. When compared to the vehicle, bafilomycin C1 (3.3–10 μM; 24 hours) results in morphological changes and a higher number of apoptotic cells when stained with Hoechst 33258 (HY-15558)[2].
ln Vivo	Bafilomycin C1 (subcutaneous injection; 0.2 mg/kg; 20 days) in a model of naked mice slows the growth of tumors without causing any obvious side effects or unpleasant reactions[1].
Cell Assay	Cell Viability Assay[2] Cell Types: SMMC7721 cell and HepG2 cell Tested Concentrations: 0.33 μM, 1.1 μM, and 3.3 μM for SMMC7721 1.1 μM, 3.3 μM, and 10.0 μM for HepG2 Incubation Duration: 6 days Experimental Results: Retarded the cell growth. Western Blot Analysis[2] Cell Types: SMMC7721 cells Tested Concentrations: 3.3 μM Incubation Duration: 24 hrs (hours) Experimental Results: Decreaed cyclin D3/E1,CDK2/4/6 protein expression and increased p21. Apoptosis Analysis[2] Cell Types: SMMC7721 and HepG2 cells Tested Concentrations: 3.3 μM; 10 μM Incubation Duration: 24 hrs (hours) Experimental Results: Induced apoptosis in SMMC7721 and HepG2 cells.
Animal Protocol	Animal/Disease Models: BALB/c nude mice (weighing 18-20 g) subcutaneous (sc)injected by SMMC7721 cell suspension (5×106 cells/100 μL)[2] Doses: 0.2 mg/kg Route of Administration: subcutaneous (sc)injection; 20 days Experimental Results: Suppressed tumor growth of SMMC7721 tumor xenografts.
References	[1]. Bafilomycins: A Class of Inhibitors of Membrane ATPases From Microorganisms, Animal Cells, and Plant Cells. Proc Natl Acad Sci U S A. 1988 Nov;85(21):7972-6. [2]. Bafilomycin C1 Induces G0/G1 Cell-Cycle Arrest and Mitochondrial-Mediated Apoptosis in Human Hepatocellular Cancer SMMC7721 Cells. J Antibiot (Tokyo). 2018 Sep;71(9):808-817.

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	1.3872 mL	6.9359 mL	13.8717 mL
	5 mM	0.2774 mL	1.3872 mL	2.7743 mL
	10 mM	0.1387 mL	0.6936 mL	1.3872 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.