JNJ525

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

MedKoo CAT#: 530540

CAS#: Unknown

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.


Chemical Structure

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JNJ525
CAS# Unknown

Theoretical Analysis

MedKoo Cat#: 530540
Name: JNJ525
CAS#: Unknown
Chemical Formula: C31H30N8
Exact Mass: 514.2593
Molecular Weight: 514.637
Elemental Analysis: C, 72.35; H, 5.88; N, 21.77

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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

Preparing Stock Solutions

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.

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

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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



Additional Information

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)