WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 530540
Description: JNJ525 is a is an apparent small molecule inhibitor of TNFα. JNJ525 inhibits protein function via an aggregation-based mechanism that is distinct from protein sequestration and denaturation mechanisms proposed for enzymes. JNJ525 also prevents the formation of TNFα complexes with TNFR1 and TNFR2. In the TR-FRET assay, the apparent IC50 values for the inhibition of complex formation are 1.2 ± 0.2 μM and 1.1 ± 0.1 μM for TNFR1 and TNFR2, respectively. TNFα is the therapeutic target for five biologic drugs for the treatment of multiple autoimmune and inflammatory conditions, and TNFα-mediated pathways are also the target for small-molecule therapies for cancer.
MedKoo Cat#: 530540
Chemical Formula: C31H30N8
Exact Mass: 514.2593
Molecular Weight: 514.637
Elemental Analysis: C, 72.35; H, 5.88; N, 21.77
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Synonym: JNJ525; JNJ-525; JNJ 525.
IUPAC/Chemical Name: N4-benzyl-N4-(3'-(2-(piperazin-1-yl)pyrimidin-5-yl)-[1,1'-biphenyl]-2-yl)pyrimidine-2,4-diamine
InChi Key: FRBABIFCTILEGV-UHFFFAOYSA-N
InChi Code: InChI=1S/C31H30N8/c32-30-34-14-13-29(37-30)39(22-23-7-2-1-3-8-23)28-12-5-4-11-27(28)25-10-6-9-24(19-25)26-20-35-31(36-21-26)38-17-15-33-16-18-38/h1-14,19-21,33H,15-18,22H2,(H2,32,34,37)
SMILES Code: NC1=NC=CC(N(CC2=CC=CC=C2)C(C=CC=C3)=C3C4=CC=CC(C5=CN=C(N6CCNCC6)N=C5)=C4)=N1
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
The following data is based on the product molecular weight 514.637 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|
Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein–Protein Interaction
Jonathan M. BlevittMichael D. HackKrystal L. HermanPaul F. JacksonPaul J. KrawczukAlec D. LebsackAnnie X. LiuTaraneh MirzadeganMarina I. NelenAaron N. PatrickStefan SteinbacherMarcos E. Millaand Kevin J. Lumb
Publication Date (Web): March 16, 2017 (Brief Article)
Protein−protein interactions mediate numerous biological processes and provide a potential opportunity for the therapeutic interception and modulation of disease. Therapeutic “large-molecule” antibodies provide an established approach to modulate extracellular protein−protein interactions. However, the ability to modulate protein−protein interactions with small molecules is much less developed than for traditional drug targets such as kinases, proteases, and Gprotein coupled receptors. Nonetheless, progress has been made with attention focused on the identification of hot spots at protein−protein interfaces as avenues to identify inhibitors of protein−protein interactions. (Copied from DOI: 10.1021/acs.jmedchem.6b01836)