BRD5459

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MedKoo CAT#: 407394

CAS#: 612037-58-8

Description: BRD5459 is an enhancers of reactive oxygen species that are nontoxic or cause genotype-selective cell death. Elevation of reactive oxygen species (ROS) levels has been observed in many cancer cells relative to nontransformed cells, and recent reports have suggested that small-molecule enhancers of ROS may selectively kill cancer cells in various in vitro and in vivo models.


Chemical Structure

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BRD5459
CAS# 612037-58-8

Theoretical Analysis

MedKoo Cat#: 407394
Name: BRD5459
CAS#: 612037-58-8
Chemical Formula: C26H26N4O2
Exact Mass: 426.21
Molecular Weight: 426.520
Elemental Analysis: C, 73.22; H, 6.14; N, 13.14; O, 7.50

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.

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Synonym: BRD5459; BRD-5459; BRD 5459.

IUPAC/Chemical Name: 2-allyl-1-((3,4-dimethoxyphenethyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile

InChi Key: NUAXAFFYXXNHLP-UHFFFAOYSA-N

InChi Code: InChI=1S/C26H26N4O2/c1-5-8-19-17(2)20(16-27)26-29-21-9-6-7-10-22(21)30(26)25(19)28-14-13-18-11-12-23(31-3)24(15-18)32-4/h5-7,9-12,15,28H,1,8,13-14H2,2-4H3

SMILES Code: N#CC1=C(C)C(CC=C)=C(NCCC2=CC=C(OC)C(OC)=C2)N3C4=CC=CC=C4N=C31

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: >2 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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 426.52 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: Adams DJ, Boskovic ZV, Theriault JR, Wang AJ, Stern AM, Wagner BK, Shamji AF,
Schreiber SL. Discovery of small-molecule enhancers of reactive oxygen species
that are nontoxic or cause genotype-selective cell death. ACS Chem Biol. 2013 May
17;8(5):923-9. doi: 10.1021/cb300653v. PubMed PMID: 23477340; PubMed Central
PMCID: PMC3658551.