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Alisertib

CAS No.:
1028486-01-2
Catalog Number:
AG0038D2
Molecular Formula:
C27H20ClFN4O4
Molecular Weight:
518.9235
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
95%
In Stock USA
United States
$153
- +
50mg
95%
In Stock USA
United States
$447
- +
Product Description
Catalog Number:
AG0038D2
Chemical Name:
Alisertib
CAS Number:
1028486-01-2
Molecular Formula:
C27H20ClFN4O4
Molecular Weight:
518.9235
MDL Number:
MFCD16621243
IUPAC Name:
4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid
InChI:
InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
InChI Key:
ZLHFILGSQDJULK-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C1=NCc2c(c3c1cc(Cl)cc3)nc(nc2)Nc1ccc(c(c1)OC)C(=O)O)F
UNII:
T66ES73M18
Properties
Complexity:
836  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.116g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
518.929g/mol
Monoisotopic Mass:
518.116g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Literature
Title Journal
A Cre-conditional MYCN-driven neuroblastoma mouse model as an improved tool for preclinical studies. Oncogene 20150601
Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity. Journal of medicinal chemistry 20150226
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Targeting Aurora A kinase activity with the investigational agent alisertib increases the efficacy of cytarabine through a FOXO-dependent mechanism. International journal of cancer 20121201
Development of o-chlorophenyl substituted pyrimidines as exceptionally potent aurora kinase inhibitors. Journal of medicinal chemistry 20120913
Dual targeting of mTOR and aurora-A kinase for the treatment of uterine Leiomyosarcoma. Clinical cancer research : an official journal of the American Association for Cancer Research 20120901
Identification of regulators of polyploidization presents therapeutic targets for treatment of AMKL. Cell 20120803
Development of treatment strategies for advanced neuroblastoma. International journal of clinical oncology 20120601
Aurora A inhibitor (MLN8237) plus vincristine plus rituximab is synthetic lethal and a potential curative therapy in aggressive B-cell non-Hodgkin lymphoma. Clinical cancer research : an official journal of the American Association for Cancer Research 20120415
Characterization of Alisertib (MLN8237), an investigational small-molecule inhibitor of aurora A kinase using novel in vivo pharmacodynamic assays. Clinical cancer research : an official journal of the American Association for Cancer Research 20111215
Efficacy and pharmacokinetic/pharmacodynamic evaluation of the Aurora kinase A inhibitor MLN8237 against preclinical models of pediatric cancer. Cancer chemotherapy and pharmacology 20111101
The novel Aurora A kinase inhibitor MLN8237 is active in resistant chronic myeloid leukaemia and significantly increases the efficacy of nilotinib. Journal of cellular and molecular medicine 20111001
Aurora inhibitor MLN8237 in combination with docetaxel enhances apoptosis and anti-tumor activity in mantle cell lymphoma. Biochemical pharmacology 20110401
Validation of a flow cytometry based G(2)M delay cell cycle assay for use in evaluating the pharmacodynamic response to Aurora A inhibition. Journal of immunological methods 20110105
Aurora-A inactivation causes mitotic spindle pole fragmentation by unbalancing microtubule-generated forces. Molecular cancer 20110101
A novel Aurora-A kinase inhibitor MLN8237 induces cytotoxicity and cell-cycle arrest in multiple myeloma. Blood 20100624
Drug-resistant aurora A mutants for cellular target validation of the small molecule kinase inhibitors MLN8054 and MLN8237. ACS chemical biology 20100618
Discovery and development of aurora kinase inhibitors as anticancer agents. Journal of medicinal chemistry 20090514
Properties