PPOH - Moligand™, ≥98% , CAS No.206052-01-9

CAS: 206052-01-9 Cat. No.: P336159 分子式: C₁₅H₁₈O₃ 分子量: 246.30 EC番号: 221-244-6

GRADE & PURITY Moligand™, ≥98%

Synonyms

AKOS025294863 | 6-[2-(PROP-2-YN-1-YLOXY)PHENYL]HEXANOIC ACID | J-013457 | U3T | 6-(2-prop-2-ynoxyphenyl)hexanoic acid | 6-(2-Propargyloxyphenyl)hexanoic acid, >=98%, solid | SR-01000946611 | 6-{2-[(Prop-2-yn-1-yl)oxy]phenyl}hexanoic acid | HMS3649G22 | DT

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

AKOS025294863 | 6-[2-(PROP-2-YN-1-YLOXY)PHENYL]HEXANOIC ACID | J-013457 | U3T | 6-(2-prop-2-ynoxyphenyl)hexanoic acid | 6-(2-Propargyloxyphenyl)hexanoic acid, >=98%, solid | SR-01000946611 | 6-{2-[(Prop-2-yn-1-yl)oxy]phenyl}hexanoic acid | HMS3649G22 | DT

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

PPOH, a fatty acid derivative, is a selective cyclooxygenase (COX) inhibitor that inhibits arachidonic acid cyclooxygenase activity in renal cortical microsomes. In addition, PPOH acts on CYP4A2 and CYP4A3 with the IC50 values of 22 μM and 6.5 μM, respect

保管条件

Store at -20°C

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。

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

• パブケム・シド: 528766684
• カノニカル・スマイル: C#CCOC1=CC=CC=C1CCCCCC(=O)O
• IUPAC Name: 6-(2-prop-2-ynoxyphenyl)hexanoic acid
• InChIKey: CUNYTKVXYZYERK-UHFFFAOYSA-N
• INCHI: 1S/C15H18O3/c1-2-12-18-14-10-7-6-9-13(14)8-4-3-5-11-15(16)17/h1,6-7,9-10H,3-5,8,11-12H2,(H,16,17)
• 異性体SMILES: C#CCOC1=CC=CC=C1CCCCCC(=O)O
• WGKドイツ: 3
• 分子量: 246.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Medium-chain fatty acids Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Medium-chain fatty acid - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Acetylide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

化学的性質と物理的性質

• 溶解度: Soluble in ethanol (~100 mg/mL), DMSO (~50 mg/mL), DMF (~100 mg/mL), and PBS (pH 7.2) (~0.5 mg/mL).
• 感度: Light and moisture sensitive
• 屈折率: n20D1.54 (Predicted)
• 沸点（°C）: 414.65° C at 760 mmHg (Predicted)
• 融点（°C）: 136.47° C (Predicted)
• 分子量: 246.300 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 246.126 Da
• Monoisotopic Mass: 246.126 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 289.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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