OBAA - ≥98% , CAS No.221632-26-4

CAS: 221632-26-4 Cat. No.: O288799 Formule: C₂₈H₄₄O₃ Poids moléculaire: 428.65

GRADE & PURITY ≥98%

Synonyms

IDI1_002087 | (2E)-4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid | BCBcMAP01_000119 | HMS1990B05 | BDBM50604040 | NCGC00024680-03 | HMS1792B05 | MS-27599 | NCGC00024680-02 | DTXSID10874032 | SR-01000597619 | HMS1362B05 | OBAA | AKOS015914337 | CHEBI:92834 |

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Vue d’ensemble

OBAA is a potent phospholipase A2 (PLA2) inhibitor with an IC50 of 70 nM. OBAA blocks Melittin-induced Ca2+ influx in Trypanosoma brucei with an IC50 of 0.4 μM。

Specifications

Synonymes

IDI1_002087 | (2E)-4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid | BCBcMAP01_000119 | HMS1990B05 | BDBM50604040 | NCGC00024680-03 | HMS1792B05 | MS-27599 | NCGC00024680-02 | DTXSID10874032 | SR-01000597619 | HMS1362B05 | OBAA | AKOS015914337 | CHEBI:92834 |

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

A potent inhibitor of phospholipase A2(IC50= 70 nM). Reduces bronchospasm in guinea pigsin vivo.

Conditions de stockage de stockage

Store at -20°C,Desiccated

Expédié en

Ice chest + Ice pads

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

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528766465
• Sourires canoniques: CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C=CC(=O)O
• IUPAC Name: (E)-4-(4-octadecylphenyl)-4-oxobut-2-enoic acid
• InChIKey: ZBESASFHIWDSCJ-WCWDXBQESA-N
• INCHI: 1S/C28H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-21-26(22-20-25)27(29)23-24-28(30)31/h19-24H,2-18H2,1H3,(H,30,31)/b24-23+
• Isomères SMILES: CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)/C=C/C(=O)O
• Poids moléculaire: 428.65
• Reaxy-Rn: 31122579
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31122579&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Aryl ketones Enones Acryloyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl ketone - Benzoyl - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 4.29, Max Conc. mM: 10 with gentle warming
• Poids moléculaire: 428.600 g/mol
• XLogP3: 10.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 20
• Exact Mass: 428.329 Da
• Monoisotopic Mass: 428.329 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 475.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1