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MedKoo Cat#: 524432 | Name: BMS-345541 HCl
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Description:

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

BMS 345541 is a selective allosteric inhibitor of IKK (IC50 values are 0.3 and 4.0 μM for IKKβ and IKKα respectively). It attenuates LPS-induced cytokine production in vitro and blocks NFκB dependent transcription in mice. BMS 345541 also suppresses joint destruction in a mouse model of arthritis.

Chemical Structure

BMS-345541 HCl
BMS-345541 HCl
CAS#547757-23-3 (HCl)

Theoretical Analysis

MedKoo Cat#: 524432

Name: BMS-345541 HCl

CAS#: 547757-23-3 (HCl)

Chemical Formula: C14H18ClN5

Exact Mass: 291.1251

Molecular Weight: 291.78

Elemental Analysis: C, 57.63; H, 6.22; Cl, 12.15; N, 24.00

Price and Availability

Size Price Availability Quantity
50mg USD 450.00 2 weeks
100mg USD 750.00 2 weeks
200mg USD 1,250.00 2 weeks
500mg USD 2,650.00 2 weeks
1g USD 3,650.00 2 weeks
2g USD 5,950.00 2 weeks
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Related CAS #
445430-58-0 (free base) 547757-23-3 (HCl) 445430-59-1 (2HCl) 2320261-79-6 (TFA)
Synonym
BMS 345541; BMS-345541; BMS345541; UNII-BXU277OCN5;
IUPAC/Chemical Name
1,2-Ethanediamine, N-(1,8-dimethylimidazo(1,2-a)quinoxalin-4-yl)-, monohydrochloride
InChi Key
MIDKPVLYXNLFGZ-UHFFFAOYSA-N
InChi Code
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
SMILES Code
NCCNC1=NC2=C(N3C1=NC=C3C)C=C(C)C=C2.[H]Cl
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, not in water
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
Related: 445430-58-0 (free base) 547757-23-3 (HCl).
Product Data
Product Data
Instruction
View handling instruction
Biological target:
BMS-345541 hydrochloride is a selective inhibitor of the catalytic subunits of IKK (IKK-2 IC50=0.3 μM, IKK-1 IC50=4 μM).
In vitro activity:
This study found that BMS-345541 was very effective. Treatment of MDA-MB-231 cells with this agent inhibited canonical pathway-associated proteins, including pNFκB (p65), as well as non-canonical pathway-associated proteins, including RelB, in a dose-dependent manner (Figure 2A). Reference: Oncotarget. 2017 Jun 6; 8(23): 36936–36949. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5514883/
In vivo activity:
During OVA challenge, the OVA-group mice showed a variety of asthma-related symptoms, including dysphoria, shortness of breath and irregular breath rhythm, cyanosis, coughing, nose scratching and ear grasping, shrinking forelimb lift, and decreased activity. However, following treatment with BMS-345541, the asthmatic symptoms in the OVA + BMS-345541 group were significantly reduced, compared with those in the OVA and OVA + DMSO groups. Reference: Int J Mol Med. 2018 Oct; 42(4): 1998–2008. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6108878/
Solvent mg/mL mM
Solubility
DMSO 24.6 84.28
Water 29.2 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 291.78 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:
1. Battula VL, Nguyen K, Sun J, Pitner MK, Yuan B, Bartholomeusz C, Hail N, Andreeff M. IKK inhibition by BMS-345541 suppresses breast tumorigenesis and metastases by targeting GD2+ cancer stem cells. Oncotarget. 2017 Jun 6;8(23):36936-36949. doi: 10.18632/oncotarget.16294. PMID: 28415808; PMCID: PMC5514883. 2. Buontempo F, Chiarini F, Bressanin D, Tabellini G, Melchionda F, Pession A, Fini M, Neri LM, McCubrey JA, Martelli AM. Activity of the selective IκB kinase inhibitor BMS-345541 against T-cell acute lymphoblastic leukemia: involvement of FOXO3a. Cell Cycle. 2012 Jul 1;11(13):2467-75. doi: 10.4161/cc.20859. Epub 2012 Jul 1. PMID: 22713244. 3. Zhu X, Li Q, Hu G, Wang J, Hu Q, Liu Z, Wu G, Zhong Y. BMS‑345541 inhibits airway inflammation and epithelial‑mesenchymal transition in airway remodeling of asthmatic mice. Int J Mol Med. 2018 Oct;42(4):1998-2008. doi: 10.3892/ijmm.2018.3762. Epub 2018 Jul 6. PMID: 30015827; PMCID: PMC6108878. 4. Yang J, Amiri KI, Burke JR, Schmid JA, Richmond A. BMS-345541 targets inhibitor of kappaB kinase and induces apoptosis in melanoma: involvement of nuclear factor kappaB and mitochondria pathways. Clin Cancer Res. 2006 Feb 1;12(3 Pt 1):950-60. doi: 10.1158/1078-0432.CCR-05-1220. PMID: 16467110; PMCID: PMC2668250.
In vitro protocol:
1. Battula VL, Nguyen K, Sun J, Pitner MK, Yuan B, Bartholomeusz C, Hail N, Andreeff M. IKK inhibition by BMS-345541 suppresses breast tumorigenesis and metastases by targeting GD2+ cancer stem cells. Oncotarget. 2017 Jun 6;8(23):36936-36949. doi: 10.18632/oncotarget.16294. PMID: 28415808; PMCID: PMC5514883. 2. Buontempo F, Chiarini F, Bressanin D, Tabellini G, Melchionda F, Pession A, Fini M, Neri LM, McCubrey JA, Martelli AM. Activity of the selective IκB kinase inhibitor BMS-345541 against T-cell acute lymphoblastic leukemia: involvement of FOXO3a. Cell Cycle. 2012 Jul 1;11(13):2467-75. doi: 10.4161/cc.20859. Epub 2012 Jul 1. PMID: 22713244.
In vivo protocol:
1. Zhu X, Li Q, Hu G, Wang J, Hu Q, Liu Z, Wu G, Zhong Y. BMS‑345541 inhibits airway inflammation and epithelial‑mesenchymal transition in airway remodeling of asthmatic mice. Int J Mol Med. 2018 Oct;42(4):1998-2008. doi: 10.3892/ijmm.2018.3762. Epub 2018 Jul 6. PMID: 30015827; PMCID: PMC6108878. 2. Yang J, Amiri KI, Burke JR, Schmid JA, Richmond A. BMS-345541 targets inhibitor of kappaB kinase and induces apoptosis in melanoma: involvement of nuclear factor kappaB and mitochondria pathways. Clin Cancer Res. 2006 Feb 1;12(3 Pt 1):950-60. doi: 10.1158/1078-0432.CCR-05-1220. PMID: 16467110; PMCID: PMC2668250.
1: Berger A, Quast SA, Plötz M, Kammermeier A, Eberle J. Sensitization of melanoma cells for TRAIL-induced apoptosis by BMS-345541 correlates with altered phosphorylation and activation of Bax. Cell Death Dis. 2013 Jan 24;4:e477. doi: 10.1038/cddis.2012.198. PubMed PMID: 23348591; PubMed Central PMCID: PMC3563986. 2: Wu L, Shao L, Li M, Zheng J, Wang J, Feng W, Chang J, Wang Y, Hauer-Jensen M, Zhou D. BMS-345541 sensitizes MCF-7 breast cancer cells to ionizing radiation by selective inhibition of homologous recombinational repair of DNA double-strand breaks. Radiat Res. 2013 Feb;179(2):160-70. doi: 10.1667/RR3034.1. Epub 2012 Dec 21. PubMed PMID: 23259762; PubMed Central PMCID: PMC3607209. 3: Buontempo F, Chiarini F, Bressanin D, Tabellini G, Melchionda F, Pession A, Fini M, Neri LM, McCubrey JA, Martelli AM. Activity of the selective IκB kinase inhibitor BMS-345541 against T-cell acute lymphoblastic leukemia: involvement of FOXO3a. Cell Cycle. 2012 Jul 1;11(13):2467-75. doi: 10.4161/cc.20859. Epub 2012 Jul 1. PubMed PMID: 22713244. 4: Du Z, Whitt MA, Baumann J, Garner JM, Morton CL, Davidoff AM, Pfeffer LM. Inhibition of type I interferon-mediated antiviral action in human glioma cells by the IKK inhibitors BMS-345541 and TPCA-1. J Interferon Cytokine Res. 2012 Aug;32(8):368-77. doi: 10.1089/jir.2012.0002. Epub 2012 Apr 17. PubMed PMID: 22509977; PubMed Central PMCID: PMC3422054. 5: López-Guerra M, Roué G, Pérez-Galán P, Alonso R, Villamor N, Montserrat E, Campo E, Colomer D. p65 activity and ZAP-70 status predict the sensitivity of chronic lymphocytic leukemia cells to the selective IkappaB kinase inhibitor BMS-345541. Clin Cancer Res. 2009 Apr 15;15(8):2767-76. doi: 10.1158/1078-0432.CCR-08-2382. Epub 2009 Apr 7. PubMed PMID: 19351760. 6: Agbottah E, Yeh WI, Berro R, Klase Z, Pedati C, Kehn-Hall K, Wu W, Kashanchi F. Two specific drugs, BMS-345541 and purvalanol A induce apoptosis of HTLV-1 infected cells through inhibition of the NF-kappaB and cell cycle pathways. AIDS Res Ther. 2008 Jun 10;5:12. doi: 10.1186/1742-6405-5-12. PubMed PMID: 18544167; PubMed Central PMCID: PMC2483717. 7: Blazkova H, von Schubert C, Mikule K, Schwab R, Angliker N, Schmuckli-Maurer J, Fernandez PC, Doxsey S, Dobbelaere DA. The IKK inhibitor BMS-345541 affects multiple mitotic cell cycle transitions. Cell Cycle. 2007 Oct 15;6(20):2531-40. Epub 2007 Jul 30. PubMed PMID: 17704647. 8: Yang J, Amiri KI, Burke JR, Schmid JA, Richmond A. BMS-345541 targets inhibitor of kappaB kinase and induces apoptosis in melanoma: involvement of nuclear factor kappaB and mitochondria pathways. Clin Cancer Res. 2006 Feb 1;12(3 Pt 1):950-60. PubMed PMID: 16467110; PubMed Central PMCID: PMC2668250. 9: Townsend RM, Postelnek J, Susulic V, McIntyre KW, Shuster DJ, Qiu Y, Zusi FC, Burke JR. A highly selective inhibitor of IkappaB kinase, BMS-345541, augments graft survival mediated by suboptimal immunosuppression in a murine model of cardiac graft rejection. Transplantation. 2004 Apr 15;77(7):1090-4. PubMed PMID: 15087776. 10: MacMaster JF, Dambach DM, Lee DB, Berry KK, Qiu Y, Zusi FC, Burke JR. An inhibitor of IkappaB kinase, BMS-345541, blocks endothelial cell adhesion molecule expression and reduces the severity of dextran sulfate sodium-induced colitis in mice. Inflamm Res. 2003 Dec;52(12):508-11. Epub 2003 Nov 13. PubMed PMID: 14991079. 11: McIntyre KW, Shuster DJ, Gillooly KM, Dambach DM, Pattoli MA, Lu P, Zhou XD, Qiu Y, Zusi FC, Burke JR. A highly selective inhibitor of I kappa B kinase, BMS-345541, blocks both joint inflammation and destruction in collagen-induced arthritis in mice. Arthritis Rheum. 2003 Sep;48(9):2652-9. PubMed PMID: 13130486. 12: Burke JR, Pattoli MA, Gregor KR, Brassil PJ, MacMaster JF, McIntyre KW, Yang X, Iotzova VS, Clarke W, Strnad J, Qiu Y, Zusi FC. 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. 2003 Jan 17;278(3):1450-6. Epub 2002 Oct 25. PubMed PMID: 12403772.