MedKoo Cat#: 401554 | Name: MLN0905
Featured

Description:

WARNING: This product is for research use only, not for human or veterinary use.

MLN0905 is a potent, selective small-molecule PLK1 inhibitor. MLN0905 inhibits cell proliferation in a broad range of human tumor cells including DLBCL cell lines. PLK1 inhibition leads to pharmacodynamic pHisH3 modulation and significant antitumor activity in multiple DLBCL models. These data strongly suggest evaluating PLK1 inhibitors as DLBCL anticancer agents in the clinic. (source: Mol Cancer Ther; 11(9); 2045-53.)

Chemical Structure

MLN0905
CAS#1228960-69-7

Theoretical Analysis

MedKoo Cat#: 401554

Name: MLN0905

CAS#: 1228960-69-7

Chemical Formula: C24H25F3N6S

Exact Mass: 486.1814

Molecular Weight: 486.56

Elemental Analysis: C, 59.24; H, 5.18; F, 11.71; N, 17.27; S, 6.59

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 weeks
10mg USD 600.00 2 weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
MLN0905; MLN 0905; MLN-0905.
IUPAC/Chemical Name
2-((5-(3-(dimethylamino)propyl)-2-methylpyridin-3-yl)amino)-9-(trifluoromethyl)-5H-benzo[b]pyrimido[4,5-d]azepine-6(7H)-thione
InChi Key
CODBZFJPKJDNDT-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H25F3N6S/c1-14-19(9-15(12-28-14)5-4-8-33(2)3)31-23-29-13-16-10-21(34)30-20-11-17(24(25,26)27)6-7-18(20)22(16)32-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,30,34)(H,29,31,32)
SMILES Code
S=C1CC2=CN=C(NC3=CC(CCCN(C)C)=CN=C3C)N=C2C4=CC=C(C(F)(F)F)C=C4N1
Appearance
Solid powder
Purity
>98%
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO, not in water
Shelf Life
>5 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
        
Product Data
Biological target:
MLN0905 is a potent, orally active Polo-like kinase 1 (PLK1) inhibitor.
In vitro activity:
This study has discovered an experimental, potent, and selective small-molecule inhibitor of PLK1, MLN0905, which inhibits cell proliferation in a broad range of human tumor cells including DLBCL cell lines. Reference: Mol Cancer Ther. 2012 Sep;11(9):2045-53. https://pubmed.ncbi.nlm.nih.gov/22609854/
In vivo activity:
Optimization of this benzolactam-derived chemical series produced an orally bioavailable inhibitor of PLK1 (12c, MLN0905). In vivo pharmacokinetic-pharmacodynamic experiments demonstrated prolonged mitotic arrest after oral administration of 12c to tumor bearing nude mice. A subsequent efficacy study in nude mice achieved tumor growth inhibition or regression in a human colon tumor (HT29) xenograft model. Reference: J Med Chem. 2012 Jan 12;55(1):197-208. https://pubmed.ncbi.nlm.nih.gov/22070629/
Solvent mg/mL mM comments
Solubility
DMSO 63.5 130.51
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 486.56 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
1. Shi JQ, Lasky K, Shinde V, Stringer B, Qian MG, Liao D, Liu R, Driscoll D, Nestor MT, Amidon BS, Rao Y, Duffey MO, Manfredi MG, Vos TJ, D' Amore N, Hyer ML. MLN0905, a small-molecule plk1 inhibitor, induces antitumor responses in human models of diffuse large B-cell lymphoma. Mol Cancer Ther. 2012 Sep;11(9):2045-53. doi: 10.1158/1535-7163.MCT-11-1036. Epub 2012 May 18. PMID: 22609854. 2. Duffey MO, Vos TJ, Adams R, Alley J, Anthony J, Barrett C, Bharathan I, Bowman D, Bump NJ, Chau R, Cullis C, Driscoll DL, Elder A, Forsyth N, Frazer J, Guo J, Guo L, Hyer ML, Janowick D, Kulkarni B, Lai SJ, Lasky K, Li G, Li J, Liao D, Little J, Peng B, Qian MG, Reynolds DJ, Rezaei M, Scott MP, Sells TB, Shinde V, Shi QJ, Sintchak MD, Soucy F, Sprott KT, Stroud SG, Nestor M, Visiers I, Weatherhead G, Ye Y, D'Amore N. Discovery of a potent and orally bioavailable benzolactam-derived inhibitor of Polo-like kinase 1 (MLN0905). J Med Chem. 2012 Jan 12;55(1):197-208. doi: 10.1021/jm2011172. Epub 2011 Dec 5. PMID: 22070629.
In vitro protocol:
Shi JQ, Lasky K, Shinde V, Stringer B, Qian MG, Liao D, Liu R, Driscoll D, Nestor MT, Amidon BS, Rao Y, Duffey MO, Manfredi MG, Vos TJ, D' Amore N, Hyer ML. MLN0905, a small-molecule plk1 inhibitor, induces antitumor responses in human models of diffuse large B-cell lymphoma. Mol Cancer Ther. 2012 Sep;11(9):2045-53. doi: 10.1158/1535-7163.MCT-11-1036. Epub 2012 May 18. PMID: 22609854.
In vivo protocol:
Duffey MO, Vos TJ, Adams R, Alley J, Anthony J, Barrett C, Bharathan I, Bowman D, Bump NJ, Chau R, Cullis C, Driscoll DL, Elder A, Forsyth N, Frazer J, Guo J, Guo L, Hyer ML, Janowick D, Kulkarni B, Lai SJ, Lasky K, Li G, Li J, Liao D, Little J, Peng B, Qian MG, Reynolds DJ, Rezaei M, Scott MP, Sells TB, Shinde V, Shi QJ, Sintchak MD, Soucy F, Sprott KT, Stroud SG, Nestor M, Visiers I, Weatherhead G, Ye Y, D'Amore N. Discovery of a potent and orally bioavailable benzolactam-derived inhibitor of Polo-like kinase 1 (MLN0905). J Med Chem. 2012 Jan 12;55(1):197-208. doi: 10.1021/jm2011172. Epub 2011 Dec 5. PMID: 22070629.
1: Shi JQ, Lasky K, Shinde V, Stringer B, Qian MG, Liao D, Liu R, Driscoll D, Nestor MT, Amidon BS, Rao Y, Duffey MO, Manfredi MG, Vos TJ, Amore ND, Hyer ML. MLN0905, a Small-Molecule PLK1 Inhibitor, Induces Antitumor Responses in Human Models of Diffuse Large B-cell Lymphoma. Mol Cancer Ther. 2012 Sep;11(9):2045-53. Epub 2012 May 18. PubMed PMID: 22609854. 2: Duffey MO, Vos TJ, Adams R, Alley J, Anthony J, Barrett C, Bharathan I, Bowman D, Bump NJ, Chau R, Cullis C, Driscoll DL, Elder A, Forsyth N, Frazer J, Guo J, Guo L, Hyer ML, Janowick D, Kulkarni B, Lai SJ, Lasky K, Li G, Li J, Liao D, Little J, Peng B, Qian MG, Reynolds DJ, Rezaei M, Scott MP, Sells TB, Shinde V, Shi QJ, Sintchak MD, Soucy F, Sprott KT, Stroud SG, Nestor M, Visiers I, Weatherhead G, Ye Y, D'Amore N. Discovery of a potent and orally bioavailable benzolactam-derived inhibitor of Polo-like kinase 1 (MLN0905). J Med Chem. 2012 Jan 12;55(1):197-208. Epub 2011 Dec 5. PubMed PMID: 22070629.