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Benpyrine - 99%, high purity , CAS No.2550398-89-3

COA

Grade & Purity:

≥99%

Cas Number: 2550398-89-3
Molecular Weight: 308.34
PubChem CID: 95327594

In stock

Item Number

B648096

Grouped product items
SKU	Size	Availability	Price
B648096-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$400.90
B648096-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$680.90
B648096-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,350.90
B648096-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,200.90
B648096-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,400.90

View related series

Apoptosis (4276) Extrinsic Pathway (436) TNF Receptor (121)

Basic Description

Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	Benpyrine is a highly specific and orally active TNF-α inhibitor with a K D value of 82.1 μM. Benpyrine tightly binds to TNF-α and blocks its interaction with TNFR1, with an IC 50 value of 0.109 µM. Benpyrine has the potential for TNF-α mediated inflammat
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Benpyrine is a highly specific and orally active TNF-α inhibitor with a K D value of 82.1 μM. Benpyrine tightly binds to TNF-α and blocks its interaction with TNFR1, with an IC 50 value of 0.109 µM. Benpyrine has the potential for TNF-α mediated inflammatory and autoimmune disease research In Vitro Benpyrine (5-20 µM; 14 hours; RAW264.7 cells) pretreatment results in a dose-dependent decrease in the phosphorylation of IκBα in RAW264.7 cells (stimulated with 10 ng/mL TNF-α or 1 μg/mL LPS). Benpyrine abolishes the TNF-α-induced nuclear translocation of NF-κB/p65 in RAW264.7 cells. Benpyrine only blocks cell death induced by TNF-α WT and Y 119 A, and increases the cell survival rate up to 80%. Benpyrine does not obviously affect L 57 A- and Y 59 L-induced cytotoxicity in L929 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: RAW264.7 cells Concentration: 5 µM, 10 µM, 20 µM Incubation Time: 14 hours Result: Resulted in a dose-dependent decrease in the phosphorylation of IκBα. In Vivo Benpyrine (25-50 mg/kg; oral gavage; daily; for 2 weeks; Balb/c mice) treatment significantly relieves the symptoms of collagen-induced arthritis. Benpyrine dose-dependently decreases the levels of proinflammatory cytokines, such as IFN-γ, IL-1β and IL-6, and increases the concentration of the anti-inflammatory cytokine IL-10 . Endotoxemia murine model shows that Benpyrine (25 mg/kg) could attenuate TNF-α-induced inflammation, thereby reducing liver and lung injury . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Balb/c mice (18-20 g) injected with collagen Dosage: 25 mg/kg, 50 mg/kg Administration: Oral gavage; daily; for 2 weeks Result: Relieved the symptoms of collagen-induced arthritis in mice. Form:Solid IC50& Target:KD: 82.1 μM (TNF-α)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Beta amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Beta amino acids and derivatives
Alternative Parents	6-alkylaminopurines Aminopyrimidines and derivatives Pyrrolidine-2-ones N-alkylpyrrolidines Imidolactams Benzene and substituted derivatives Tertiary carboxylic acid amides Imidazoles Heteroaromatic compounds Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Beta amino acid or derivatives - 6-alkylaminopurine - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Imidolactam - Azole - Tertiary carboxylic acid amide - Imidazole - Heteroaromatic compound - Pyrrolidine - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TNF Tclin Tumor necrosis factor (1 Activities)

Discover Target: TNF

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TNF Tclin TNF-alpha (1897 Activities)

Discover Target: TNF

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(4S)-1-benzyl-4-(7H-purin-6-ylamino)pyrrolidin-2-one
INCHI	InChI=1S/C16H16N6O/c23-13-6-12(8-22(13)7-11-4-2-1-3-5-11)21-16-14-15(18-9-17-14)19-10-20-16/h1-5,9-10,12H,6-8H2,(H2,17,18,19,20,21)/t12-/m0/s1
InChIKey	HUWOMAVUXTXEKT-LBPRGKRZSA-N
Smiles	C1C(CN(C1=O)CC2=CC=CC=C2)NC3=NC=NC4=C3NC=N4
Isomeric SMILES	C1[C@@H](CN(C1=O)CC2=CC=CC=C2)NC3=NC=NC4=C3NC=N4
Molecular Weight	308.34
Reaxy-Rn	36240659
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36240659&ln=

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