BiochemProbe — Life Science Research Reagents

TNF-α-IN-2 free base

TNF-α-IN-2 is a potent and orally active inhibitor of tumor necrosis factor alpha.

For research use only. Not for human or veterinary use.

Target TNF Receptor
Research area Inflammation/Immunology Cancer
Purity >98% Stock Inquire
Data Sheet SDS COA

TNF-α-IN-2 structure

CAS No.: 2074702-04-6

Download structure (.mol)

Pack sizes & pricing

Size Price SKU Stock
10 mg USD 400.00 BP-02196-10mg In stock Get quote
25 mg USD 780.00 BP-02196-25mg In stock Get quote
50 mg USD 1,240.00 BP-02196-50mg In stock Get quote
100 mg USD 1,980.00 BP-02196-100mg In stock Get quote
250 mg USD 3,950.00 BP-02196-250mg In stock Get quote

Need another size or custom synthesis? Request a quote.

Description

TNF-α-IN-2 is a potent and orally active inhibitor of tumor necrosis factor alpha (TNFα), with an IC50 of 25 nM in the HTRF assay. TNF-α-IN-2 distorts the TNFα trimer upon binding, leading to aberrant signaling when the trimer binds to TNFR1. TNF-α-IN-2 can be used for the research of rheumatoid arthritis[1].

Biological activity

In Vitro TNF-α-IN-2 (compound 42) (30 min) inhibits the E-selectin expression induced by soluble TNFα in HUVECs, with an IC50 of 30 nM. In Vivo TNF-α-IN-2 (5-25 mg/kg; p.o. 1 h before TNF stimulation) inhibits TNF-induced IL-6 in mice. ? TNF-α-IN-2 (2-10 mg/kg; p.o. twice daily for 10 d) dose dependently reduces both the clinical score as well as the levels of inflammatory cytokines and leukocyte cell surface receptors in mice. ? TNF-α-IN-2 (0.5 mg/kg; i.v.) exhibits long t1/2 (6.2 h), low CL (6.6 mL/min?kg), and Vss (3.2 L/kg) in mice. ? TNF-α-IN-2 (2 mg/kg; p.o.) exhibits good oral bioavailability (58%), Cmax (0.47 μM), and AUCtot (5.9 μM?h) in mice.

Identifiers

SMILES
C[C@H](C1=CC(C#N)=CC=C1F)NC2=C(C(C)=NC3=CC(F)=C(C4=CN=C(C(C)(O)C)N=C4)N=C23)Cl
InChIKey
UDLNDXDUOBMZIQ-GFCCVEGCSA-N

Specifications

MW (average)
494.9240
Formula
C25H21ClF2N6O
CAS No.
2074702-04-6
Physical state
Solid
Color
Light yellow to yellow
Shipping
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
Powder -20℃ 3 years; 4℃ 2 years; In solvent -20℃ 1 month;

Solubility

soluble in DMSO

Documents

References

[1]. Xiao HY, et, al. Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNFα Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches. J Med Chem. 2020 Dec 1.

Same target

Search TNF Receptor

Same research area

Search Inflammation/Immunology