![Molecular structure of 4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid (CAS 869363-13-3)](/images/chem_structures_svg/284/869363-13-3.svg)
4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid
Also known as: MLN8054, MLN-8054, 4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid, Kinome_1204, ZZL, S1100_Selleck
4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid (CAS 869363-13-3) is a compound in the Pharma Intermediates category listed in the Jingsj chemical database. It has the molecular formula C25H15ClF2N4O2 and a molecular weight of 476.86 g/mol. Key properties include a boiling point of 429.5±45.0 °C at 760 mmHg, a density of 1.2±0.1 g/cm3 and a flash point of 213.5±28.7 °C. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.
- CAS No.
- 869363-13-3
- Jingsj CID
- J-54554-3
- Molecular Formula
- C25H15ClF2N4O2
- Molecular Weight
- 476.86 g/mol
- Category
- Pharma Intermediates
- Last updated
- 8/21/2026
No offers for this compound yet.
Request a quotePhysicochemical Properties
| Boiling Point | 429.5±45.0 °C at 760 mmHg |
|---|---|
| Density | 1.2±0.1 g/cm3 |
| Flash Point | 213.5±28.7 °C |
| PSA | 64.63000 |
| LogP | 2.02 |
| Vapor Pressure | 0.0±1.0 mmHg at 25°C |
| Refractive Index | 1.524 |
| Storage Conditions | -20°C |
Activity & Biological Data
| Target | Aurora A:4 nM (IC50) |
|---|---|
| Additional Information | [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. |
Frequently Asked Questions
What is the CAS number of 4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid?
The CAS number of 4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid is 869363-13-3.
What are the molecular formula and molecular weight of 4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid?
4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid has molecular formula C25H15ClF2N4O2 and molecular weight 476.86 g/mol.
What are the upstream and downstream products of 4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid?
For 4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid, Upstream Products: tert-butyl (3-(4-chloro-2-(2,6-difluorobenzoyl)phenyl)prop-2-yn-1-yl)carbamate, (5-Chloro-2-iodophenyl)(2,6-difluorophenyl)methanone, (2-Amino-5-chlorophenyl)(2,6-difluorophenyl)methanone.
Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.
Last updated:
How to cite: Jingsj. "4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid (CAS 869363-13-3)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-54554-3 (accessed 2026-11-07).
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