KR-33493 - ≥99% , CAS No.1021497-97-1

CAS: 1021497-97-1 Cat. No.: K648800 Summenformel: C₂₀H₁₈BrN₃O₃S Molekulargewicht: 460.34 PubChem CID: 25009726

GRADE & PURITY ≥99%

Synonyms

UNII-NCH0QD81ZR | SCHEMBL1875570 | AKOS032960445 | F85518 | HY-100755 | AC-35452 | KR-33494 | KR-33493 | 1021497-97-1 | 4-(2-(4-Bromophenylthio)acetamido)-1-phenethyl-1H-pyrazole-3-carboxylic acid | EX-A1269 | KM-819 | NCH0QD81ZR | 4-[2-(4-bromo-phenylsul

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

KR-33493 is a potent inhibitor of Fas-mediated cell death ( FAF1 ).

In Vivo

Body weight changes of both sexes are not related to KR-33493 in all doses. In rats administrated KR-33493 for 4 weeks, no test article-related changes in any treated groups of either sex are found in hematology, serum biochemistry, and urinalysis. In dogs administrated KR-33493 for 2 weeks, red blood cell count (RBC) value in males is significantly higher at the 1000 mg/kg/day dose than that of the control group (i.e., 6.96±0.323 vs. 6.12±0.418). However, the change of RBC is recovered after the end of the administration period. The dose-normalized AUC last is not significantly different between the groups, suggesting that KR-33493 is governed by linear kinetics . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Fas

Specifications

Synonyme

UNII-NCH0QD81ZR | SCHEMBL1875570 | AKOS032960445 | F85518 | HY-100755 | AC-35452 | KR-33494 | KR-33493 | 1021497-97-1 | 4-(2-(4-Bromophenylthio)acetamido)-1-phenethyl-1H-pyrazole-3-carboxylic acid | EX-A1269 | KM-819 | NCH0QD81ZR | 4-[2-(4-bromo-phenylsul

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

KR-33493 is a potent inhibitor of Fas-mediated cell death ( FAF1 ).

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥99%

Namen und Kennungen

Kanonisches Lächeln

C1=CC=C(C=C1)CCN2C=C(C(=N2)C(=O)O)NC(=O)CSC3=CC=C(C=C3)Br

IUPAC Name

4-[[2-(4-bromophenyl)sulfanylacetyl]amino]-1-(2-phenylethyl)pyrazole-3-carboxylic acid

InChIKey

ZRLJEHIUGYTTSZ-UHFFFAOYSA-N

INCHI

1S/C20H18BrN3O3S/c21-15-6-8-16(9-7-15)28-13-18(25)22-17-12-24(23-19(17)20(26)27)11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,22,25)(H,26,27)

Isomere SMILES

C1=CC=C(C=C1)CCN2C=C(C(=N2)C(=O)O)NC(=O)CSC3=CC=C(C=C3)Br

Alternative CAS-Nummer

1021497-97-1

PubChem CID

25009726

MeSH-Eintrag

KM-819

Molekulargewicht

460.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazole carboxylic acids and derivatives
• Alternative Parents: Thiophenol ethers N-arylamides Bromobenzenes Alkylarylthioethers Aryl bromides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Carboxylic acids Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - N-arylamide - Thiophenol ether - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
• External Descriptors: Not available

Data sources

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : ≥ 31 mg/mL (67.34 mM)
• Molekulargewicht: 460.300 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 459.025 Da
• Monoisotopic Mass: 459.025 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 525.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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 1021497-97-1, the molecular formula is C20H18BrN3O3S, and the molecular weight is 460.34 g/mol. InChIKey ZRLJEHIUGYTTSZ-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.