GSK789 | CAS#2540591-06-6 | BET inhibitor

MedKoo Cat#: 462519 | Name: GSK789

Description:

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

GSK789 is a selective inhibitor of the first bromodomains (BD1) of the bromo and extra terminal domain (BET) proteins.

Chemical Structure

GSK789

CAS#2540591-06-6 (free base)

Theoretical Analysis

MedKoo Cat#: 462519

Name: GSK789

CAS#: 2540591-06-6 (free base)

Chemical Formula: C26H33N5O3

Exact Mass: 463.2583

Molecular Weight: 463.58

Elemental Analysis: C, 67.36; H, 7.18; N, 15.11; O, 10.35

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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Related CAS #

2540591-06-6 (free base) GSK789 HCl

Synonym

GSK789; GSK 789; GSK-789

IUPAC/Chemical Name

(3R,4R)-N-cyclohexyl-4-((5-(furan-2-yl)-3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)-1-methylpiperidine-3-carboxamide

InChi Key

NDEORODKVUYMFQ-NHCUHLMSSA-N

InChi Code

InChI=1S/C26H33N5O3/c1-16-13-18-19(22-9-6-12-34-22)14-27-24(23(18)30-25(16)32)29-21-10-11-31(2)15-20(21)26(33)28-17-7-4-3-5-8-17/h6,9,12-14,17,20-21H,3-5,7-8,10-11,15H2,1-2H3,(H,27,29)(H,28,33)(H,30,32)/t20-,21-/m1/s1

SMILES Code

CC1=CC2=C(C3=CC=CO3)C=NC(N[C@H]4[C@H](C(NC5CCCCC5)=O)CN(C)CC4)=C2NC1=O

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 463.58 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.

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: Watson RJ, Bamborough P, Barnett HA, et al. GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins [published online ahead of print, 2020 Jul 21]. J Med Chem. 2020;10.1021/acs.jmedchem.0c00614. doi:10.1021/acs.jmedchem.0c00614