R 7050 - ≥99% , CAS No.303997-35-5

CAS: 303997-35-5 Cat. No.: R276233 Summenformel: C16H8ClF3N4S Molekulargewicht: 380.77 PubChem CID: 1486608
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GRADE & PURITY ≥99%
Synonyms
8-Chloro-4-(phenylthio)-1-(trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxaline | TNF-α Antagonist III
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Deutschland (EU)
USA*
Price
Qty
5mg
R276233-5mg
—
2 Auf Lager
84,95€
10mg
R276233-10mg
—
2 Auf Lager
122,26€
25mg
R276233-25mg
—
2 Auf Lager
215,11€
50mg
R276233-50mg
—
2 Auf Lager
407,75€
100mg
R276233-100mg
—
2 Auf Lager
680,22€
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Übersicht

Shipped at room temperature. Store at -20°C.

R-7050 is a TNF-α receptor signaling antagonist.

TNF-α induces biological activity throgh stimulation of the tumor necrosis factor receptor. Although plenty of pre-clinical and clinical evidence suggests a detrimental role, small molecule TNF-αsignaling pathway inhibitors remain largely unexplored in the context of a brain hemorrhage.

In vitro: R-7050 was identified as a selective inhibitot of TNF-α induced cellular signaling by using differential library screening. Unlike biologic TNF inhibitors directly binding TNF-α, R-7050 could not affect binding of TNF-α to TNFR. In contrast, R-7050 was able to selectively inhibit the association of TNF receptor with intracellular adaptor molecules 


In vivo:

In previous animal study, R-7050 was tested to attenuate neurovascular injury after Intracerebral hemorrhage (ICH) in mice. Results showed that up to 2h post-injury administration of R-7050 was able to significantly reduce blood-brain barrier opening and attenuate edema development at 24h post-ICH. In addition, neurological outcomes were also improved over the first 3 days after injury. Whereas, R-7050 was not found to be albe to reduce hematoma volume, indicating the beneficial effects of TNFR inhibition were downstream of clot formation/resolution .


Clinical trial:

Up to now, R-7050 is still in the preclinical development stage.

Specifications

Synonyme
8-Chloro-4-(phenylthio)-1-(trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxaline | TNF-α Antagonist III
Spezifikationen & Reinheit
≥99%
Biochemische und physiologische Mechanismen
Cell-permeable TNF-α receptor signaling antagonist (EC 50 = 0.631\xa0μM in ICAM-1 ELISA assay). Blocks TNFR1 association with TRADD and RIP1. Blocks\xa0TNF-α -induced activation of\xa0 NF-κB and MAPK pathway signaling.
Storage
Store at -20°C
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Hinweis
Refer to SDS for further information Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Reinheit
≥99%
Namen und Kennungen
Pubchem Sid504760516
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504760516
Kanonisches LächelnC1=CC=C(C=C1)SC2=NC3=C(C=C(C=C3)Cl)N4C2=NN=C4C(F)(F)F
IUPAC Name8-chloro-4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
InChIKeySUUMKHOVGVYGOP-UHFFFAOYSA-N
INCHI1S/C16H8ClF3N4S/c17-9-6-7-11-12(8-9)24-13(22-23-15(24)16(18,19)20)14(21-11)25-10-4-2-1-3-5-10/h1-8H
Isomere SMILES C1=CC=C(C=C1)SC2=NC3=C(C=C(C=C3)Cl)N4C2=NN=C4C(F)(F)F
PubChem CID 1486608
Molekulargewicht 380.77

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganosulfur compounds
KlasseThioethers
SubclassAryl thioethers
Intermediate Tree Nodes Not available
Direct ParentDiarylthioethers
Alternative Parents Quinoxalines  Thiophenol ethers  Pyrazines  Benzene and substituted derivatives  Aryl chlorides  Triazoles  Heteroaromatic compounds  Sulfenyl compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Organochlorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Diarylthioether - Diazanaphthalene - Quinoxaline - Thiophenol ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrazine - Benzenoid - 1,2,4-triazole - Azole - Heteroaromatic compound - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic nitrogen compound - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BJ (6930 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATXN2 Tbio Ataxin-2 (54410 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
INS1 (2867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Npsr1 Neuropeptide S receptor (260 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeDatumArtikel
A2312327Certificate of AnalysisJul 10, 2024 R276233
A2312398Certificate of AnalysisJul 10, 2024 R276233
A2312400Certificate of AnalysisJul 10, 2024 R276233
A2312365Certificate of AnalysisJul 02, 2024 R276233
A2312305Certificate of AnalysisJul 02, 2024 R276233
Chemische und physikalische Eigenschaften
LöslichkeitSoluble\xa0in dimethyl formamide to 25 mM
Molekulargewicht380.800 g/mol
XLogP35.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass380.011 Da
Monoisotopic Mass380.011 Da
Topological Polar Surface Area68.400 Ų
Heavy Atom Count25
Formal Charge0
Complexity477.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
FAQs und Artikel
Lösungsrechner
Bewertungen

Kundenbewertungen

Häufig gestellte Fragen

What is the purity of this product?
This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 303997-35-5, the molecular formula is C16H8ClF3N4S, and the molecular weight is 380.77 g/mol. InChIKey SUUMKHOVGVYGOP-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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