MPT0B014 is a tubulin polymerization inhibitor. MPT0B014 causes apoptosis in cancer/tumor cells. MPT0B014 may be used in cancer-related research.

Physicochemical Properties

Molecular Formula	C19H17NO4
Molecular Weight	323.34
Exact Mass	323.115
Elemental Analysis	C, 70.58; H, 5.30; N, 4.33; O, 19.79
CAS #	1215208-59-5
Related CAS #	1215208-59-5;
PubChem CID	45139642
Appearance	Off-white to light yellow solid powder
Density	1.2±0.1 g/cm3
Boiling Point	513.5±50.0 °C at 760 mmHg
Flash Point	264.4±30.1 °C
Vapour Pressure	0.0±1.3 mmHg at 25°C
Index of Refraction	1.606
LogP	3.17
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	24
Complexity	416
Defined Atom Stereocenter Count	0
SMILES	C(C1=CC=C2C(=C1)C=CC=N2)(C1=CC(OC)=C(OC)C(OC)=C1)=O
InChi Key	GSGXITQZCMSYKF-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H17NO4/c1-22-16-10-14(11-17(23-2)19(16)24-3)18(21)13-6-7-15-12(9-13)5-4-8-20-15/h4-11H,1-3H3
Chemical Name	quinolin-6-yl(3,4,5-trimethoxyphenyl)methanone
Synonyms	MPT0B014; MPT0B-014; MPT0B 014; MPT 0B014; MPT-0B014; B014; B-014; B 014;
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	Tubulin polymerization[1]
ln Vitro	In a dosage-dependent way, MPT0B014 (0-1 μM; 48 h) suppresses the development of A549, H1299, and H226 cells [1]. A549 cells are exposed to MPT0B014 (0.05-0.3 μM) for 24 and 48 hours, which causes apoptosis by stopping the cell cycle in the G2/M and sub-G1 phases [1].
ln Vivo	In vivo studies of rhininitib (0.75 and 1.0 mg/kg; sc once daily for 5 days till mice get moribund) demonstrate anti-AML effects[1
Cell Assay	Cell Viability Assay[1] Cell Types: A549, H1299, H226 and HUVEC cells Tested Concentrations: 0, 0.025, 0.05, 0.075 and 1 μM Incubation Duration: 48 h Experimental Results: Inhibited cell viability with IC50s of 0.109±0.01, 0.055±0.004, 0.077±0.005 and 0.536±0.166 μM against A549, H1299, H226 and HUVEC cells, respectively. Cell Cycle Analysis[1] Cell Types: A549, H1299 and H226 Tested Concentrations: 0.05, 0.1 and 0.3 μM Incubation Duration: 24 and 48 h Experimental Results: Treatment for 24 h led to notable accumulation of cells in the G2/M phase. At 48 h, sub-G1 apoptotic cell populations were increased in a concentration-dependent manner. Cells in the G2/M phase began to rise at 12 h post-treatment and peaked at 24 h. Following this, there was an emergence of cells in the sub-G1 population phase until 48 h. Western Blot Analysis[1] Cell Types: A549, H1299 and H226 Tested Concentrations: 0.05, 0.1 and 0.3 μM Incubation Duration: 24 h Experimental Results: Resulted in a marked increase in expression of the mitosis marker MPM2 and the proteins cyclin B1, Cdc2, Thr16
Animal Protocol	Animal/Disease Models: Nude athymic mice, A549 xenografts[1] Doses: 100 mg/kg alone or in combination with 25 mg/kg Erlotinib (HY-50896) Route of Administration: iv/ip, daily for 25 days Experimental Results: The combined treatment resulted in more significant tumor growth delay (28%) compared with treatment alone (7%). The combination produced Dramatically higher anti-tumor activity. The growth of A549 cancer cell xenografts was suppressed by 11, 21 and 49% (tumor growth inhibition) after treatment with MPT0B014, Erlotinib and MPT0B014 plus Erlotinib, respectively.
References	[1]. In vitro and in vivo anti-tumour effects of MPT0B014, a novel derivative aroylquinoline, and in combination with erlotinib in human non-small-cell lung cancer cells. Br J Pharmacol. 2014 Jan;171(1):122-33.

Solubility Data

Solubility (In Vitro)

DMSO : 50 mg/mL (154.64 mM)

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	3.0927 mL	15.4636 mL	30.9272 mL
	5 mM	0.6185 mL	3.0927 mL	6.1854 mL
	10 mM	0.3093 mL	1.5464 mL	3.0927 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.