QVD-OPh (DMSO solution) - 10mM in DMSO , CAS No.1135695-98-5

CAS: 1135695-98-5 Cat. No.: Q420687 Formule: C₂₆H₂₅F₂N₃O₆ Poids moléculaire: 513.49 PubChem CID: 24794416

GRADE & PURITY 10mM in DMSO

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

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

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

Specifications

Synonymes

(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

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Protected from light,Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

528766825

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: air and light sensitive
• Poids moléculaire: 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