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QVD-OPh (DMSO solution) - 10mM in DMSO, high purity , CAS No.1135695-98-5
Potent, cell-permeable, irreversible broad-spectrum caspase inhibitor
Basic Description
Synonyms
1135695-98-5 | Q-VD-OPh | Q-VD-OPh hydrate | QVD-OPH | (3S)-5-(2,6-difluorophenoxy)-3-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxopentanoic acid | (S)-5-(2,6-Difluorophenoxy)-3-((S)-3-methyl-2-(quinoline-2-carboxamido)butanamido)-4-oxopentanoi
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
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.
Storage Temp
Protected from light,Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(3S)-5-(2,6-difluorophenoxy)-3-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxopentanoic acid
INCHI
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
InChIKey
OOBJCYKITXPCNS-REWPJTCUSA-N
Smiles
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
Isomeric 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
Molecular Weight
513.49
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
air and light sensitive
Molecular Weight
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
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