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MedKoo Cat#: 527694 | Name: PHA-408
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Description:

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

PHA-408 is a novel Potent, highly selective and ATP-competitive IKB kinase-2 (IKK-2) inhibitor which has been found to potentially inhibit TLR signaling with anti-inflammatory properties.

Chemical Structure

PHA-408
PHA-408
CAS#503555-55-3

Theoretical Analysis

MedKoo Cat#: 527694

Name: PHA-408

CAS#: 503555-55-3

Chemical Formula: C29H27ClFN7O2

Exact Mass: 559.1899

Molecular Weight: 560.03

Elemental Analysis: C, 62.20; H, 4.86; Cl, 6.33; F, 3.39; N, 17.51; O, 5.71

Price and Availability

Size Price Availability Quantity
5mg USD 450.00 2 Weeks
10mg USD 875.00 2 Weeks
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Related CAS #
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Synonym
PHA 408; PHA408; PHA-408
IUPAC/Chemical Name
8-(5-Chloro-2-(4-methylpiperazin-1-yl)isonicotinamido)-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
InChi Key
ZLEZHGHFWIHCGU-UHFFFAOYSA-N
InChi Code
InChI=1S/C29H27ClFN7O2/c1-36-10-12-37(13-11-36)25-15-23(24(30)16-33-25)29(40)34-19-6-2-17-3-9-21-26(28(32)39)35-38(27(21)22(17)14-19)20-7-4-18(31)5-8-20/h2,4-8,14-16H,3,9-13H2,1H3,(H2,32,39)(H,34,40)
SMILES Code
O=C(C1=NN(C2=CC=C(F)C=C2)C3=C1CCC4=CC=C(NC(C5=C(Cl)C=NC(N6CCN(C)CC6)=C5)=O)C=C43)N
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

Preparing Stock Solutions

The following data is based on the product molecular weight 560.03 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
1: Berke IM, Jain E, Yavuz B, McGrath T, Chen L, Silva MJ, Mbalaviele G, Guilak F, Kaplan DL, Setton LA. NF-κB-mediated effects on behavior and cartilage pathology in a non-invasive loading model of post-traumatic osteoarthritis. Osteoarthritis Cartilage. 2021 Feb;29(2):248-256. doi: 10.1016/j.joca.2020.10.008. Epub 2020 Nov 24. PMID: 33246158; PMCID: PMC8023431. 2: Vincent-Fabert C, Roland L, Zimber-Strobl U, Feuillard J, Faumont N. Pre- clinical blocking of PD-L1 molecule, which expression is down regulated by NF- κB, JAK1/JAK2 and BTK inhibitors, induces regression of activated B-cell lymphoma. Cell Commun Signal. 2019 Aug 5;17(1):89. doi: 10.1186/s12964-019-0391-x. PMID: 31382969; PMCID: PMC6683395. 3: Vicen M, Vitverova B, Havelek R, Blazickova K, Machacek M, Rathouska J, Najmanová I, Dolezelova E, Prasnicka A, Sternak M, Bernabeu C, Nachtigal P. Regulation and role of endoglin in cholesterol-induced endothelial and vascular dysfunction in vivo and in vitro. FASEB J. 2019 May;33(5):6099-6114. doi: 10.1096/fj.201802245R. Epub 2019 Feb 12. PMID: 30753095. 4: Lai CY, Su YW, Lin KI, Hsu LC, Chuang TH. Natural Modulators of Endosomal Toll-Like Receptor-Mediated Psoriatic Skin Inflammation. J Immunol Res. 2017;2017:7807313. doi: 10.1155/2017/7807313. Epub 2017 Aug 13. PMID: 28894754; PMCID: PMC5574364. 5: Khan SY, Awad EM, Oszwald A, Mayr M, Yin X, Waltenberger B, Stuppner H, Lipovac M, Uhrin P, Breuss JM. Premature senescence of endothelial cells upon chronic exposure to TNFα can be prevented by N-acetyl cysteine and plumericin. Sci Rep. 2017 Jan 3;7:39501. doi: 10.1038/srep39501. PMID: 28045034; PMCID: PMC5206708. 6: Carlson CG, Dole E, Stefanski C, Bayless D. The effect of specific IKKβ inhibitors on the cytosolic expression of IκB-α and the nuclear expression of p65 in dystrophic (MDX) muscle. Am J Transl Res. 2015 Apr 15;7(4):670-82. PMID: 26064436; PMCID: PMC4455343. 7: Li J, Wang X, Zhang F, Yin H. Toll-like receptors as therapeutic targets for autoimmune connective tissue diseases. Pharmacol Ther. 2013 Jun;138(3):441-51. doi: 10.1016/j.pharmthera.2013.03.003. Epub 2013 Mar 24. PMID: 23531543; PMCID: PMC3686650. 8: Xie J, Poda GI, Hu Y, Chen NX, Heier RF, Wolfson SG, Reding MT, Lennon PJ, Kurumbail RG, Selness SR, Li X, Kishore NN, Sommers CD, Christine L, Bonar SL, Venkatraman N, Mathialagan S, Brustkern SJ, Huang HC. Aminopyridinecarboxamide- based inhaled IKK-2 inhibitors for asthma and COPD: Structure-activity relationship. Bioorg Med Chem. 2011 Feb 1;19(3):1242-55. doi: 10.1016/j.bmc.2010.12.027. Epub 2010 Dec 23. PMID: 21236687. 9: Mathialagan S, Poda GI, Kurumbail RG, Selness SR, Hall T, Reitz BA, Weinberg RA, Kishore N, Mbalaviele G. Expression, purification and functional characterization of IkappaB kinase-2 (IKK-2) mutants. Protein Expr Purif. 2010 Aug;72(2):254-61. doi: 10.1016/j.pep.2010.02.009. Epub 2010 Feb 20. PMID: 20176108. 10: Rajendrasozhan S, Hwang JW, Yao H, Kishore N, Rahman I. Anti-inflammatory effect of a selective IkappaB kinase-beta inhibitor in rat lung in response to LPS and cigarette smoke. Pulm Pharmacol Ther. 2010 Jun;23(3):172-81. doi: 10.1016/j.pupt.2010.01.002. Epub 2010 Jan 18. PMID: 20080200; PMCID: PMC2850968. 11: Chiang PC, Kishore NN, Thompson DC. Combined use of pharmacokinetic modeling and a steady-state delivery approach allows early assessment of IkappaB kinase-2 (IKK-2) target safety and efficacy. J Pharm Sci. 2010 Mar;99(3):1278-87. doi: 10.1002/jps.21909. PMID: 19743500. 12: Sommers CD, Thompson JM, Guzova JA, Bonar SL, Rader RK, Mathialagan S, Venkatraman N, Holway VW, Kahn LE, Hu G, Garner DS, Huang HC, Chiang PC, Schindler JF, Hu Y, Meyer DM, Kishore NN. Novel tight-binding inhibitory factor- kappaB kinase (IKK-2) inhibitors demonstrate target-specific anti-inflammatory activities in cellular assays and following oral and local delivery in an in vivo model of airway inflammation. J Pharmacol Exp Ther. 2009 Aug;330(2):377-88. doi: 10.1124/jpet.108.147538. Epub 2009 May 28. PMID: 19478133. 13: Mbalaviele G, Sommers CD, Bonar SL, Mathialagan S, Schindler JF, Guzova JA, Shaffer AF, Melton MA, Christine LJ, Tripp CS, Chiang PC, Thompson DC, Hu Y, Kishore N. A novel, highly selective, tight binding IkappaB kinase-2 (IKK-2) inhibitor: a tool to correlate IKK-2 activity to the fate and functions of the components of the nuclear factor-kappaB pathway in arthritis-relevant cells and animal models. J Pharmacol Exp Ther. 2009 Apr;329(1):14-25. doi: 10.1124/jpet.108.143800. Epub 2009 Jan 23. PMID: 19168710. 14: Araújo MI, Bacellar O, Ribeiro-de-Jesus A, Carvalho EM. The absence of gamma-interferon production of S. mansoni antigens in patients with schistosomiasis. Braz J Med Biol Res. 1994 Jul;27(7):1619-25. PMID: 7874028.