BMS-345541 - 98%, high purity , CAS No.547757-23-3, Allosteric modulator of component of inhibitor of nuclear factor kappa B kinase complex;Allosteric modulator of inhibitor of nuclear factor kappa B kinase subunit beta

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Item Number
B126876
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SKUSizeAvailabilityPrice Qty
B126876-5mg
5mg
3
$97.90
B126876-10mg
10mg
3
$157.90
B126876-25mg
25mg
Available within 8-12 weeks(?)
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$355.90
B126876-50mg
50mg
3
$473.90
B126876-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$706.90

Selective allosteric inhibitor of IKK; anti-inflammatory

Basic Description

Synonyms4-methoxyphenyl methylbromide | N1-(1,8-Dimethylimidazo[1,2-a]quinoxalin-4-yl)-1,2-ethanediamine hydrochloride | N1-{1,8-DIMETHYLIMIDAZO[1,2-A]QUINOXALIN-4-YL}ETHANE-1,2-DIAMINE HYDROCHLORIDE | BMS-345541 hydrochloride | BMS-345541, >=98% (HPLC), powder |
Specifications & PurityMoligand™, ≥98%
Biochemical and Physiological MechanismsSelective allosteric inhibitor of IKK (IC50values are 0.3 and 4.0μM for IKKβand IKKαrespectively). Exhibits no effect against a panel of 15 other kinases. Attenuates LPS-induced cytokine productionin vitroand blocks NFκB dependent transcription in mice.
Storage TempStore at -20°C
Shipped InIce chest + Ice pads
GradeMoligand™
Action TypeALLOSTERIC MODULATOR
Mechanism of actionAllosteric modulator of component of inhibitor of nuclear factor kappa B kinase complex;Allosteric modulator of inhibitor of nuclear factor kappa B kinase subunit beta
Product Description

BMS-345541 has been used: as an IκB kinase (IKK) complex inhibitor to study its effects on the interferon-γ (IFN-γ) production by natural killer (NK) cells as an IKK inhibitor to study its effects on the expression of eotaxin and monocyte chemoattractant protein-1 (MCP-1) mRNA in gingival fibroblasts as nuclear factor κB (NF-κB) pathway inhibitor to study its effects on tumor necrosis factor α (TNFα) production in human oral squamous carcinoma cells

Associated Targets(Human)

CHUK Tchem Inhibitor of nuclear factor kappa-B kinase subunit alpha (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
IKBKB Tchem Inhibitor of nuclear factor kappa-B kinase subunit beta (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHUK Tchem Inhibitor of nuclear factor kappa B kinase alpha subunit (3170 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IKBKB Tchem Inhibitor of nuclear factor kappa B kinase beta subunit (5554 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BGC-823 (3035 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SGC-7901 (2773 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MGC-803 (6426 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

Pubchem Sid504765102
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504765102
IUPAC Name N'-(1,8-dimethylimidazo[1,2-a]quinoxalin-4-yl)ethane-1,2-diamine;hydrochloride
INCHI InChI=1S/C14H17N5.ClH/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15;/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18);1H
InChi Key MIDKPVLYXNLFGZ-UHFFFAOYSA-N
Canonical SMILES CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN.Cl
Isomeric SMILES CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN.Cl
PubChem CID 9926054
Molecular Weight 291.78

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
L2123017Certificate of AnalysisOct 09, 2023 B126876
L2123015Certificate of AnalysisOct 09, 2023 B126876
L2123016Certificate of AnalysisOct 09, 2023 B126876

Chemical and Physical Properties

SolubilitySolvent:water, Max Conc. mg/mL: 29.18, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 29.18, Max Conc. mM: 100
Molecular Weight291.780 g/mol
XLogP3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass291.125 Da
Monoisotopic Mass291.125 Da
Topological Polar Surface Area68.200 Ų
Heavy Atom Count20
Formal Charge0
Complexity310.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2

Safety and Hazards(GHS)

Pictogram(s) GHS07
Hazard Statements

H315:Causes skin irritation

H319:Causes serious eye irritation

H335:May cause respiratory irritation

Precautionary Statements

P261:Avoid breathing dust/fume/gas/mist/vapors/spray.

P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.

Specifications

References

1. Burke JR, Pattoli MA, Gregor KR, Brassil PJ, MacMaster JF, McIntyre KW, Yang X, Iotzova VS, Clarke W, Strnad J et al..  (2003)  BMS-345541 is a highly selective inhibitor of I kappa B kinase that binds at an allosteric site of the enzyme and blocks NF-kappa B-dependent transcription in mice..  J Biol Chem,  278  (3): (1450-6).  [PMID:12403772] [10.1021/op500134e]

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