Tubulin inhibitor 30 (Compound 15) is a tubulin/microtubule inhibitor (antagonist) with IC50 of 0.52 μM. Tubulin inhibitor 30 cancause ferroptosis.

Physicochemical Properties

Molecular Formula	C22H19N3O5
Molecular Weight	405.403365373611
Exact Mass	405.132
CAS #	2873383-67-4
PubChem CID	166176963
Appearance	White to off-white solid powder
LogP	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	30
Complexity	559
Defined Atom Stereocenter Count	0
SMILES	C(C1C(C2=CC=CO2)=CN(C2=NC=CC=N2)C=1)(C1=CC(OC)=C(OC)C(OC)=C1)=O
InChi Key	IXBOSJOTMWEKPZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H19N3O5/c1-27-18-10-14(11-19(28-2)21(18)29-3)20(26)16-13-25(22-23-7-5-8-24-22)12-15(16)17-6-4-9-30-17/h4-13H,1-3H3
Chemical Name	[4-(furan-2-yl)-1-pyrimidin-2-ylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
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	IC50: 0.52 μM (Tubulin)[1]
ln Vitro	Tubulin inhibitor 30 (Compound 15) (0-100 nM; 48 h) inhibits MCF-7, U-87 MG, and OVCAR-3 cell viability[1]. Incubation of tubulin inhibitor 30 with human liver microsomes results in metabolic stability[1]. 30 tubulin inhibitors
ln Vivo	Tubulin inhibitor 30 (Compound 15) (25 mg/kg; ip; every 2 days) induces oxidative stress damage and Fe2+ buildup in mice while inhibiting the in vivo tumorigenicity of the human GBM cell line U-87 MG and the human OC cell line SKOV-3[1].
Cell Assay	Cell Viability Assay[1] Cell Types: MCF-7, U-87 MG and OVCAR-3 cells Tested Concentrations: 0-100 nM Incubation Duration: 48 h Experimental Results: Inhibited the cell viability with IC50s of 4.0, 10.06 and 2.852 nM against MCF-7, U-87 MG and OVCAR-3 cells, respectively. Western Blot Analysis[1] Cell Types: U-87 MG and OVCAR-3 cells Tested Concentrations: 0-100 nM Incubation Duration: 48 h Experimental Results: Induced a significant increase of cleaved PARP.
Animal Protocol	Animal/Disease Models: BALB/Cnu/nu (nude) mice, U-87 MG or SKOV-3 model[1] Doses: 25 mg /kg Route of Administration: intraperitoneal (ip)injection, every 2 days Experimental Results: Inhibited tumorigenicity and tumor volume. Caused oxidative stress injury and Fe2+ accumulation.
References	[1]. Induction of Ferroptosis in Glioblastoma and Ovarian Cancers by a New Pyrrole Tubulin Assembly Inhibitor. J Med Chem. 2022 Nov 17.

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	2.4667 mL	12.3335 mL	24.6670 mL
	5 mM	0.4933 mL	2.4667 mL	4.9334 mL
	10 mM	0.2467 mL	1.2333 mL	2.4667 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.