MedKoo Cat#: 530540 | Name: JNJ525

Description:

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

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.

Chemical Structure

JNJ525
JNJ525
CAS#2092913-64-7

Theoretical Analysis

MedKoo Cat#: 530540

Name: JNJ525

CAS#: 2092913-64-7

Chemical Formula: C31H30N8

Exact Mass: 514.2593

Molecular Weight: 514.64

Elemental Analysis: C, 72.35; H, 5.88; N, 21.77

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
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
More Info
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)

Preparing Stock Solutions

The following data is based on the product molecular weight 514.64 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
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) DOI: 10.1021/acs.jmedchem.6b01836