MLN8054 sodium

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

MedKoo CAT#: 577546

CAS#: 869366-15-4

Description: MLN8054 sodium is an Aurora A inhibitor.

Chemical Structure

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MLN8054 sodium
CAS# 869366-15-4
Instruction

Theoretical Analysis

MedKoo Cat#: 577546
Name: MLN8054 sodium
CAS#: 869366-15-4
Chemical Formula: C25H14ClF2N4NaO2
Exact Mass: 498.07
Molecular Weight: 498.850
Elemental Analysis: C, 60.19; H, 2.83; Cl, 7.11; F, 7.62; N, 11.23; Na, 4.61; O, 6.41

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: MLN8054 sodium; MLN 8054 sodium; MLN-8054 sodium

IUPAC/Chemical Name: Benzoic acid, 4-((9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido(5,4-d)(2)benzazepin-2-yl)amino)-, monosodium salt

InChi Key: CPUPAOAXNTYRQJ-UHFFFAOYSA-M

InChi Code: InChI=1S/C25H15ClF2N4O2.Na/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34;/h1-10,12H,11H2,(H,33,34)(H,30,31,32);/q;+1/p-1

SMILES Code: [Na+].[O-]C(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4c3n2)c5c(F)cccc5F)cc1

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 498.85 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:
In vitro protocol:
In vivo protocol:

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1. Sells TB, Chau R, Ecsedy JA, Gershman RE, Hoar K, Huck J, Janowick DA, Kadambi VJ, LeRoy PJ, Stirling M, Stroud SG, Vos TJ, Weatherhead GS, Wysong DR, Zhang M, Balani SK, Bolen JB, Manfredi MG, Claiborne CF. MLN8054 and Alisertib (MLN8237): Discovery of Selective Oral Aurora A Inhibitors. ACS Med Chem Lett. 2015 Apr 22;6(6):630-4. doi: 10.1021/ml500409n. PMID: 26101564; PMCID: PMC4468408.

2. Moretti L, Niermann K, Schleicher S, Giacalone NJ, Varki V, Kim KW, Kopsombut P, Jung DK, Lu B. MLN8054, a small molecule inhibitor of aurora kinase a, sensitizes androgen-resistant prostate cancer to radiation. Int J Radiat Oncol Biol Phys. 2011 Jul 15;80(4):1189-97. doi: 10.1016/j.ijrobp.2011.01.060. Epub 2011 Apr 20. PMID: 21514073.