MKI-1 is an inhibitor (blocker/antagonist) of microtubule-associated serine/threonine-like kinase (MASTL) with IC50 of 9.9 μM. MKI-1 exerts antitumor and radiosensitizing activities by activating PP2A in breast cancer.

Physicochemical Properties

Molecular Formula	C18H14N4O
Molecular Weight	302.33
Exact Mass	302.116
CAS #	1190277-80-5
PubChem CID	27649598
Appearance	Off-white to light yellow solid powder
Density	1.3±0.1 g/cm3
Boiling Point	516.1±52.0 °C at 760 mmHg
Flash Point	266.0±30.7 °C
Vapour Pressure	0.0±1.3 mmHg at 25°C
Index of Refraction	1.702
LogP	3.91
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	23
Complexity	423
Defined Atom Stereocenter Count	0
InChi Key	XKDZPQAMBMLCDQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H14N4O/c23-17(21-18-19-15-8-1-2-9-16(15)20-18)13-6-5-7-14(12-13)22-10-3-4-11-22/h1-12H,(H2,19,20,21,23)
Chemical Name	N-(1H-benzimidazol-2-yl)-3-pyrrol-1-ylbenzamide
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	MKI-1 (5–20 μM) suppresses breast cancer cells' MASTL activity[1]. MKI-1 (100 μM, 72 h) reduces some of the oncogenic characteristics of breast cancer cells, although its effects on the survival of normal breast cells are far less pronounced[1]. MKI-1 evidently lowers c-Myc's serine 62-phosphorylation as well as its total phosphorylation, while also decreasing ENSA phosphorylation[1]. MKI-1 (20 μM, 16 h) activates PP2A in MCF7 cells, which decreases c-Myc stability[1].
ln Vivo	MKI-1 (50 mg/kg, ip, twice weekly) decreases tumor growth and increases the BT549 xenograft model's radiosensitivity in response to 6 Gy irradiation when compared to the control group. No appreciable changes in body weight are observed, indicating that the treated mice did not experience gross toxicity[1].
Cell Assay	Western Blot Analysis[1] Cell Types: MCF7 and T47D cells. Tested Concentrations: 5-20 μM. Incubation Duration: 24 h. Experimental Results: Inhibited the phosphorylation of ENSA in MCF7 and T47D cells . Dramatically inhibited the phosphorylation of ENSA in mitotic cells.
Animal Protocol	Animal/Disease Models: Fiveweeks old female BALB/c nude mice (BT549 cells)[1]. Doses: 50 mg/kg. Route of Administration: Twice per week by intraperitoneal (ip) injection. Experimental Results: decreased tumor growth.
References	[1]. MKI-1, a Novel Small-Molecule Inhibitor of MASTL, Exerts Antitumor and Radiosensitizer Activities Through PP2A Activation in Breast cancer. Front Oncol. 2020 Sep 29;10:571601.

Solubility Data

Solubility (In Vitro)

DMSO: 250 mg/mL (826.91 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	3.3076 mL	16.5382 mL	33.0764 mL
	5 mM	0.6615 mL	3.3076 mL	6.6153 mL
	10 mM	0.3308 mL	1.6538 mL	3.3076 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.