QVD-OPh - ≥95%, mixture of isomers , CAS No.1135695-98-5

CAS: 1135695-98-5 Cat. No.: Q275003 Fórmula: C₂₆H₂₅F₂N₃O₆ Peso molecular: 513.49 PubChem CID: 24794416

GRADE & PURITY ≥95%, mixture of isomers

Synonyms

(3S)-5-(2,6-difluorophenoxy)-3-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxopentanoic acid | (3S)-5-(2,6-difluorophenoxy)-3-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxo-pentanoic acid | pentanoic acid, 5-(2,6-dif

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Visão geral

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

(3S)-5-(2,6-difluorophenoxy)-3-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxopentanoic acid | (3S)-5-(2,6-difluorophenoxy)-3-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxo-pentanoic acid | pentanoic acid, 5-(2,6-dif

Especificações e pureza

≥95%, mixture of isomers

Mecanismos bioquímicos e fisiológicos

Potent, cell-permeable, irreversible broad-spectrum caspase inhibitor (IC 50 values are 25, 50, 100 and 430 nM for caspase-3, 1, 8 and 9 respectively). Inhibits apoptosis. Shows anti-ischemic and neuroprotective effects in vivo .

Condições de armazenamento de armazenamento

Store at -20°C,Desiccated

Enviado em

Ice chest + Ice pads

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

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one week. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504769830

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769830

Sorrisos canónicos

CC(C)C(C(=O)NC(CC(=O)O)C(=O)COC1=C(C=CC=C1F)F)NC(=O)C2=NC3=CC=CC=C3C=C2

IUPAC Name

(3S)-5-(2,6-difluorophenoxy)-3-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxopentanoic acid

InChIKey

OOBJCYKITXPCNS-REWPJTCUSA-N

INCHI

1S/C26H25F2N3O6/c1-14(2)23(31-25(35)19-11-10-15-6-3-4-9-18(15)29-19)26(36)30-20(12-22(33)34)21(32)13-37-24-16(27)7-5-8-17(24)28/h3-11,14,20,23H,12-13H2,1-2H3,(H,30,36)(H,31,35)(H,33,34)/t20-,23-/m0/s1

SMILES isoméricas

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC1=C(C=CC=C1F)F)NC(=O)C2=NC3=CC=CC=C3C=C2

PubChem CID

24794416

Peso molecular

513.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid peptides
• Alternative Parents: Valine and derivatives N-acyl-alpha amino acids and derivatives Quinoline carboxamides Alpha amino acid amides Beta amino acids and derivatives Pyridinecarboxylic acids and derivatives Phenol ethers 2-heteroaryl carboxamides Gamma-keto acids and derivatives Phenoxy compounds Alkyl aryl ethers Fluorobenzenes Aryl fluorides N-acyl amines Monosaccharides Heteroaromatic compounds Secondary carboxylic acid amides Ketones Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hybrid peptide - N-acyl-alpha amino acid or derivatives - Quinoline-2-carboxamide - Valine or derivatives - Alpha-amino acid amide - Beta amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Quinoline - Pyridine carboxylic acid or derivatives - Phenoxy compound - Gamma-keto acid - Phenol ether - 2-heteroaryl carboxamide - Alkyl aryl ether - Halobenzene - Fluorobenzene - Keto acid - Aryl fluoride - Aryl halide - Monosaccharide - Pyridine - Benzenoid - Fatty amide - Monocyclic benzene moiety - Fatty acyl - N-acyl-amine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO to 100 mM
• Peso molecular: 513.500 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 513.171 Da
• Monoisotopic Mass: 513.171 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 818.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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