MLN8054

Alias: MLN 8054; MLN-8054; MLN8054
Cat No.:V0347 Purity: ≥98%
MLN-8054 (MLN8054), abenzazepine-based compound, is a selective, and ATP-competitive inhibitor of Aurora A kinase (AAK) with potential antitumor activity.
MLN8054 Chemical Structure CAS No.: 869363-13-3
Product category: Aurora Kinase
This product is for research use only, not for human use. We do not sell to patients.
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description

MLN-8054 (MLN8054), a benzazepine-based compound, is a selective, and ATP-competitive inhibitor of Aurora A kinase (AAK) with potential antitumor activity. It inhibits Aurora A kinase with an IC50 of 4 nM in Sf9 insect cells and shows >40-fold selectivity for Aurora A over Aurora B. It shows potent in vitro antiproliferative activity and high in vivo antitumor efficacy. MLN8054 was in Phase I clinical trials for advanced solid tumors.

Biological Activity I Assay Protocols (From Reference)
ln Vitro
MLN8054 is a reversible, ATP-competitive inhibitor of recombinant Aurora A kinase. When MLN8054 is compared to family member Aurora B, it is >40-fold more selective for Aurora A. In human tumor cells cultivated in vitro, MLN8054 preferentially inhibits Aurora A over Aurora B. Treatment with MLN8054 causes G2/M accumulation, spindle abnormalities, and suppresses proliferation in several types of cultured human tumor cells. With an IC50 range of 0.11 to 1.43 μM, MLN8054 efficiently suppresses the proliferation of cells originating from various tissue origins[1]. When human tumor cells are cultured with MLN8054, certain morphologic and biochemical alterations linked to senescence are observed[2].
ln Vivo
In vivo MLN8054 administration causes apoptosis, accumulation of mitotic cells, and inhibition of Aurora A[1]. At a dosage of 30 mg/kg, MLN8054 specifically inhibits the activity of Aurora A kinase. It has been demonstrated that MLN8054 inhibits Aurora A autophosphorylation in HCT116 tumor tissue at this dose and increases the levels of the Aurora B substrate, pHisH3[2].
Animal Protocol
Dissolved in 10% hydroxypropyl-β-cyclodextrin with 5% sodium bicarbonate; 30 mg/kg; Oral gavage
HCT-116 and PC-3 cells are injected s.c. into the right flank of nude mice.
References
[1]. Manfredi MG, et al. Antitumor activity of MLN8054, an orally active small-molecule inhibitor of Aurora A kinase. Proc Natl Acad Sci U S A. 2007 Mar 6;104(10):4106-11.
[2]. Huck JJ, et al. MLN8054, an inhibitor of Aurora A kinase, induces senescence in human tumor cells both in vitro and in vivo. Mol Cancer Res. 2010 Mar;8(3):373-84
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C25H15CLF2N4O2
Molecular Weight
476.86
CAS #
869363-13-3
SMILES
O=C(O)C1=CC=C(NC2=NC=C3C(C4=CC=C(Cl)C=C4C(C5=C(F)C=CC=C5F)=NC3)=N2)C=C1
InChi Key
HHFBDROWDBDFBR-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
Chemical Name
4-((9-chloro-7-(2,6-difluorophenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)benzoic acid.
Synonyms
MLN 8054; MLN-8054; MLN8054
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)
Solubility Data
Solubility (In Vitro)
DMSO: 95 mg/mL (199.2 mM)
Water:<1 mg/mL
Ethanol:<1 mg/mL
Solubility (In Vivo)
15% Captisol:30mg/mL
 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.0971 mL 10.4853 mL 20.9705 mL
5 mM 0.4194 mL 2.0971 mL 4.1941 mL
10 mM 0.2097 mL 1.0485 mL 2.0971 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.

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
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Biological Data
  • MLN8054

    Low and high concentrations of MLN8054 result in cellular phenotypes consistent with Aurora A and Aurora B inhibition, respectively, and induce apoptosis.2007 Mar 6;104(10):4106-11.

  • MLN8054

    MLN8054 induces TGI in the HCT-116 colorectal and PC3 prostate tumor xenografts.


    MLN8054

    MLN8054 results in inhibition of Aurora A and accumulation of mitotic cells after a single dose and apoptosis after repeat dosing in HCT-116 human tumor xenografts.2007 Mar 6;104(10):4106-11.

  • MLN8054

    MLN8054 selectively inhibits Aurora A over Aurora B in cultured human tumor cells.2007 Mar 6;104(10):4106-11.

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