Alisertib

Also known as: MLN8237, MLN-8237, Alisertib (MLN8237), Benzoic acid, 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxy-, MLN-823, CS-277, 4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic acid

Alisertib (CAS 1028486-01-2) is a compound in the Organic Compounds category listed in the Jingsj chemical database. It has the molecular formula C27H20ClFN4O4 and a molecular weight of 518.924 g/mol. Key properties include a boiling point of 729.1±70.0 °C at 760 mmHg, a density of 1.4±0.1 g/cm3 and a flash point of 394.8±35.7 °C. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 1028486-01-2
Jingsj CID: J-1956386-1
Molecular Formula: C₂₇H₂₀ClFN₄O₄
Molecular Weight: 518.924 g/mol
Category: Organic Compounds
Last updated: 8/21/2026

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Physicochemical Properties

Boiling Point	729.1±70.0 °C at 760 mmHg
Density	1.4±0.1 g/cm3
Flash Point	394.8±35.7 °C
Exact Mass	518.115723
PSA	105.93000
LogP	5.56
Vapor Pressure	0.0±2.5 mmHg at 25°C
Refractive Index	1.671
Storage Conditions	-20°C

Activity & Biological Data

Target	Aurora A:1.2 nM (IC50)
Additional Information	[1]. Güllü G, et al. A novel Aurora-A kinase inhibitor MLN8237 induces cytotoxicity and cell-cycle arrest in multiple myeloma Blood June 24, 2010 vol. 115 no. 25 5202-5213 [2]. Sloane DA, et al. Drug-Resistant Aurora A Mutants for Cellular Target Validation of the Small Molecule Kinase Inhibitors MLN8054 and MLN8237 ACS Chem. Biol., 2010, 5 (6), pp 563-576 [3]. Manfredi MG, et al. Characterization of Alisertib (MLN8237), an investigational small-molecule inhibitor of aurora A kinase using novel in vivo pharmacodynamic assays.Clin Cancer Res. 2011 Dec 15;17(24):7614-7624. [4]. Yayi Feng, et al. Targeting aurora a kinase (AURKA) and P21-activated kinase 1 (PAK1) in hormone receptor-positive breast cancer. College of Medicine. Drexel University. November 2016.

Target

Aurora A:1.2 nM (IC50)

Additional Information

[1]. Güllü G, et al. A novel Aurora-A kinase inhibitor MLN8237 induces cytotoxicity and cell-cycle arrest in multiple myeloma Blood June 24, 2010 vol. 115 no. 25 5202-5213 [2]. Sloane DA, et al. Drug-Resistant Aurora A Mutants for Cellular Target Validation of the Small Molecule Kinase Inhibitors MLN8054 and MLN8237 ACS Chem. Biol., 2010, 5 (6), pp 563-576 [3]. Manfredi MG, et al. Characterization of Alisertib (MLN8237), an investigational small-molecule inhibitor of aurora A kinase using novel in vivo pharmacodynamic assays.Clin Cancer Res. 2011 Dec 15;17(24):7614-7624. [4]. Yayi Feng, et al. Targeting aurora a kinase (AURKA) and P21-activated kinase 1 (PAK1) in hormone receptor-positive breast cancer. College of Medicine. Drexel University. November 2016.

Frequently Asked Questions

What is the CAS number of Alisertib?

The CAS number of Alisertib is 1028486-01-2.

What are the molecular formula and molecular weight of Alisertib?

Alisertib has molecular formula C27H20ClFN4O4 and molecular weight 518.924 g/mol.

What are the upstream and downstream products of Alisertib?

For Alisertib, Upstream Products: (5-Chloro-2-iodophenyl)(2,6-difluorophenyl)methanone, (2-Amino-5-chlorophenyl)(2,6-difluorophenyl)methanone, (5-chloro-2-iodophenyl)(2-fluoro-6-methoxyphenyl)methanone.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated: 8/21/2026

How to cite: Jingsj. "Alisertib (CAS 1028486-01-2)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-1956386-1 (accessed 2026-11-09).

Data for reference only; verify product details with suppliers before purchase.