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

CAS: 206052-01-9 Cat. No.: P336159 분자식: C₁₅H₁₈O₃ 분자량: 246.30 EC 번호: 221-244-6

등급 & 순도 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

사양

동의어

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

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

Pubchem Sid

528766684

정식 스마일

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)

이성체 SMILES

C#CCOC1=CC=CC=C1CCCCCC(=O)O

WGK 독일

3

분자량

246.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in ethanol (~100 mg/mL), DMSO (~50 mg/mL), DMF (~100 mg/mL), and PBS (pH 7.2) (~0.5 mg/mL).
• 감도: Light and moisture sensitive
• 굴절률: n20D1.54 (Predicted)
• 끓는점(°C): 414.65° C at 760 mmHg (Predicted)
• 녹는점(°C): 136.47° C (Predicted)
• 분자량: 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