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533169 BET Inhibitor, I-BET726 - CAS 1300031-52-0 - Calbiochem

BET Inhibitor, I-BET726, is a cell-permeable, potent, and selective inhibitor of BET family proteins (IC₅₀ = 41, 31, and 22 nM for BRD2, BRD3, BRD4, respectively).

MSDS (material safety data sheet) or SDS, CoA and CoQ, dossiers, brochures and other available documents.

Synonyms: BET Inhibitor, BET726, GSK1324726A, 4-((2S,4R)-1-Acetyl-4-((4-chlorophenyl)amino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzoic acid

Primary Target: BET
533169
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Overview

Replacement Information

Key Spec Table

CAS #Empirical Formula
1300031-52-0C₂₅H₂₃ClN₂O₃

Products

Catalogue NumberPackaging Qty/Pack
5331690001 Glass bottle 5 mg
Description
OverviewA cell-permeable tetrahydroquinoline based compound that acts as a highly potent and selective inhibitor of bromodomain and extra-terminal (BET) family proteins (IC50 = 41, 31, and 22 nM for BRD2, BRD3, BRD4, respectively). Binds to the acetyl-lysine recognition pocket of BET proteins and competes with tetra-acetylated histone H4 peptides (K5ac, K8ac, K12ac, K16ac) for binding to the bromodomains of these proteins. Does not affect the activity of over 50 different receptors, ion channels, and transporters even at higher concentrations (1-10 µM). Exhibits cytotoxicity towards neuroblastoma cell lines, induces apoptosis, and inhibits their growth (gIC50 = 26 and 60 nM for CHP-212 and SK-N-AS cells, respectively). Suppresses the growth of human neuroblastoma xenografts in murine models (5 mg/kg, p.o. for 2 weeks) and reduces the expression of MYCN and BCL2. Shown to improve survival rate of Balb/c mice subjected to LPS-induced (15 - 20 mg/kg) septic shock (10 mg/kg, i.v.). Displays desirable pharmacokinetic properties (t1/2 = 3.6 h; AUC 0-t = 6.03 µg/h/ml at 10 mg/kg i.v. in mice).

Please note that the molecular weight for this compound is batch-specific due to variable water content. Please refer to the vial label or the certificate of analysis for the batch-specific molecular weight. The molecular weight provided represents the baseline molecular weight without water.
Catalogue Number533169
Brand Family Calbiochem®
SynonymsBET Inhibitor, BET726, GSK1324726A, 4-((2S,4R)-1-Acetyl-4-((4-chlorophenyl)amino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzoic acid
References
ReferencesGosmini, R., et al. 2014. J. Med. Chem. 57, 811.
Wyce, A., et al. 2013. Plos One. 8, e72967.
Product Information
CAS number1300031-52-0
FormLight yellow solid
Hill FormulaC₂₅H₂₃ClN₂O₃
Chemical formulaC₂₅H₂₃ClN₂O₃
ReversibleY
Quality LevelMQ100
Applications
Biological Information
Primary TargetBET
Primary Target IC<sub>50</sub>41 nM, 31 nM, and 22 nM for BRD2, BRD3, BRD4, BRDT respectively
Primary Target K<sub>i</sub>4.4 nM for BRD4
Purity≥98% by HPLC
Physicochemical Information
Cell permeableY
Dimensions
Materials Information
Toxicological Information
Safety Information according to GHS
Safety Information
Product Usage Statements
Storage and Shipping Information
Ship Code Shipped at Ambient Temperature or with Blue Ice or with Dry Ice
Toxicity Standard Handling
Storage -20°C
Protect from Light Protect from light
Do not freeze Ok to freeze
Special InstructionsFollowing reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 3 months at -20°C.
Packaging Information
Packaged under inert gas Packaged under inert gas
Transport Information
Supplemental Information
Specifications
Global Trade Item Number
Catalogue Number GTIN
5331690001 04055977281491

Documentation

BET Inhibitor, I-BET726 - CAS 1300031-52-0 - Calbiochem SDS

Title

Safety Data Sheet (SDS) 

References

Reference overview
Gosmini, R., et al. 2014. J. Med. Chem. 57, 811.
Wyce, A., et al. 2013. Plos One. 8, e72967.
Data Sheet

Note that this data sheet is not lot-specific and is representative of the current specifications for this product. Please consult the vial label and the certificate of analysis for information on specific lots. Also note that shipping conditions may differ from storage conditions.

Revision20-November-2015 JSW
SynonymsBET Inhibitor, BET726, GSK1324726A, 4-((2S,4R)-1-Acetyl-4-((4-chlorophenyl)amino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzoic acid
DescriptionA cell-permeable tetrahydroquinoline based compound that acts as a highly potent and selective inhibitor of bromodomain and extra-terminal (BET) family proteins (IC50 = 41, 31, and 22 nM for BRD2, BRD3, BRD4, respectively). Binds to the acetyl-lysine recognition pocket of BET proteins and competes with tetra-acetylated histone H4 peptides (K5ac, K8ac, K12ac, K16ac) for binding to the bromodomains of these proteins. Does not affect the activity of over 50 different receptors, ion channels, and transporters even at higher concentrations (1-10 µM). Exhibits cytotoxicity towards neuroblastoma cell lines, induces apoptosis, and inhibits their growth (gIC50 = 26 and 60 nM for CHP-212 and SK-N-AS cells, respectively). Suppresses the growth of human neuroblastoma xenografts in murine models (5 mg/kg, p.o. for 2 weeks) and reduces the expression of MYCN and BCL2. Shown to improve survival rate of Balb/c mice subjected to LPS-induced (15 - 20 mg/kg) septic shock (10 mg/kg, i.v.). Displays desirable pharmacokinetic properties (t1/2 = 3.6 h; AUC 0-t = 6.03 µg/h/ml at 10 mg/kg i.v. in mice).
FormLight yellow solid
Intert gas (Yes/No) Packaged under inert gas
CAS number1300031-52-0
Chemical formulaC₂₅H₂₃ClN₂O₃
Purity≥98% by HPLC
SolubilityDMSO (50 mg/ml)
Storage Protect from light
-20°C
Do Not Freeze Ok to freeze
Special InstructionsFollowing reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 3 months at -20°C.
Toxicity Standard Handling
ReferencesGosmini, R., et al. 2014. J. Med. Chem. 57, 811.
Wyce, A., et al. 2013. Plos One. 8, e72967.