OBAA - ≥98% , CAS No.221632-26-4

CAS: 221632-26-4 Cat. No.: O288799 分子式: C₂₈H₄₄O₃ 分子量: 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

概要

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

同義語

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 |

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

• パブケム・シド: 528766465
• カノニカル・スマイル: 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+
• 異性体SMILES: CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)/C=C/C(=O)O
• 分子量: 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
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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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関連ターゲット（非人間）

PLA2G1B Phospholipase A2 group 1B (227 Activities)

Discover Target: PLA2G1B

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 4.29, Max Conc. mM: 10 with gentle warming
• 分子量: 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