MedKoo Cat#: 573671 | Name: Alisertib sodium

Description:

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

Alisertib (MLN8237) is a selective, small-molecule inhibitor of Aurora A kinase (AURKA), a serine/threonine kinase critical for mitotic entry, centrosome maturation, and spindle assembly. It exhibits potent in vitro activity with an IC₅₀ of approximately 1.2 nM against AURKA, while showing over 200-fold selectivity versus Aurora B and C kinases. In cellular assays, alisertib induces mitotic spindle abnormalities, leading to G2/M cell cycle arrest and subsequent apoptosis in cancer cells. Preclinical studies have demonstrated nanomolar antiproliferative activity in a broad range of tumor cell lines, including neuroblastoma, breast, colorectal, and hematologic malignancies, with in vivo tumor regression observed in xenograft models at doses of 10–30 mg/kg.

Chemical Structure

Alisertib sodium
Alisertib sodium
CAS#1028486-06-7 (sodium)

Theoretical Analysis

MedKoo Cat#: 573671

Name: Alisertib sodium

CAS#: 1028486-06-7 (sodium)

Chemical Formula: C27H19ClFN4NaO4

Exact Mass: 540.0977

Molecular Weight: 540.91

Elemental Analysis: C, 59.95; H, 3.54; Cl, 6.55; F, 3.51; N, 10.36; Na, 4.25; O, 11.83

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
Alisertib sodium anhydrous
IUPAC/Chemical Name
Benzoic acid, 4-((9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido(5,4-d)(2)benzazepin-2-yl)amino)-2-methoxy-, sodium salt (1:1)
InChi Key
AIUYVPGHBMKGAC-UHFFFAOYSA-M
InChi Code
1S/C27H20ClFN4O4.Na/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);/q;+1/p-1
SMILES Code
COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)[O-])F.[Na+]
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
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
Shelf Life
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 540.91 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
1. Preparation of [(phenylpyrimidobenzazepinyl)amino]methoxybenzoic acid derivatives for us as antitumor agents. Claiborne, Christopher F.; Sells, Todd B.; Stroud, Stephen G. (Millennium Pharmaceuticals, Inc., USA). PCT Int. Appl. (2008), 43pp. CODEN: PIXXD2 WO 2008063525 A1 20080529 . Patent written in English. Application: WO 2007-US23948 20071114. Priority: US 2006-859340 20061116.