VBY-825 - Moligand™,≥98% , Inhibitor of cathepsin B;Inhibitor of cathepsin F;Inhibitor of cathepsin L;Inhibitor of cathepsin S;Inhibitor of cathepsin V, CAS No.1310340-58-9, Inhibitor of cathepsin B;Inhibitor of cathepsin F;Inhibitor of cathepsin L;Inhibitor of cathepsin S;Inhibitor of cathepsin V

CAS: 1310340-58-9 Cat. No.: V614715 Fórmula: C₂₃H₂₉F₄N₃O₅S Peso molecular: 535.55

GRADE & PURITY Moligand™, ≥98%

Synonyms

(3S)-N-cyclopropyl-3-[[(2R)-3-(cyclopropylmethylsulfonyl)-2-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propanoyl]amino]-2-oxopentanamide | VBY 825 | NSC782457 | NSC-782457 | NCGC00485951-01 | SCHEMBL13584968 | BC177373 | VBY825 | VBY-825 | (S)-N

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

VBY-825 is a new type of reversible inhibitor of cathepsin. It has a high inhibitory effect on cathepsin B, L, S and V.

Specifications

Sinónimos

(3S)-N-cyclopropyl-3-[[(2R)-3-(cyclopropylmethylsulfonyl)-2-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propanoyl]amino]-2-oxopentanamide | VBY 825 | NSC782457 | NSC-782457 | NCGC00485951-01 | SCHEMBL13584968 | BC177373 | VBY825 | VBY-825 | (S)-N

Especificações e pureza

Moligand™,≥98%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of cathepsin B;Inhibitor of cathepsin F;Inhibitor of cathepsin L;Inhibitor of cathepsin S;Inhibitor of cathepsin V

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CCC(C(=O)C(=O)NC1CC1)NC(=O)C(CS(=O)(=O)CC2CC2)NC(C3=CC=C(C=C3)F)C(F)(F)F
• IUPAC Name: (3S)-N-cyclopropyl-3-[[(2R)-3-(cyclopropylmethylsulfonyl)-2-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propanoyl]amino]-2-oxopentanamide
• InChIKey: PPUXXDKQNAHHON-BJLQDIEVSA-N
• INCHI: 1S/C23H29F4N3O5S/c1-2-17(19(31)22(33)28-16-9-10-16)30-21(32)18(12-36(34,35)11-13-3-4-13)29-20(23(25,26)27)14-5-7-15(24)8-6-14/h5-8,13,16-18,20,29H,2-4,9-12H2,1H3,(H,28,33)(H,30,32)/t17-,18-,20-/m0/s1
• SMILES isoméricas: CC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[C@@H](C3=CC=C(C=C3)F)C(F)(F)F
• CAS alternativo: 1310340-58-9
• Termos de entrada MeSH: (3S)-N-cyclopropyl-3-(((2R)-3-((cyclopropylmethyl)sulfonyl)-1-oxo-2-(((1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl)amino)propyl)amino)-2-oxopentanamide;VBY 825;VBY-825;VBY825
• Peso molecular: 535.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Fluorobenzenes Aralkylamines N-acyl amines Aryl fluorides Sulfones Secondary carboxylic acid amides Ketones Dialkylamines Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Halobenzene - Fluorobenzene - Aralkylamine - N-acyl-amine - Aryl fluoride - Aryl halide - Fatty amide - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Sulfone - Sulfonyl - Secondary carboxylic acid amide - Ketone - Carboxamide group - Secondary amine - Secondary aliphatic amine - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Alvos associados (humanos)

CTSL Tclin Cathepsin L1 (0 Activities)

Discover Target: CTSL

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

CTSS Tchem Cathepsin S (0 Activities)

Discover Target: CTSS

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

CTSV Tchem Cathepsin L2 (0 Activities)

Discover Target: CTSV

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

CTSF Tchem Cathepsin F (0 Activities)

Discover Target: CTSF

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

CTSB Tchem Cathepsin B (0 Activities)

Discover Target: CTSB

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light sensitive
• Peso molecular: 535.600 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 535.176 Da
• Monoisotopic Mass: 535.176 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 908.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1310340-58-9, the molecular formula is C23H29F4N3O5S, and the molecular weight is 535.55 g/mol. InChIKey PPUXXDKQNAHHON-BJLQDIEVSA-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.