Miroprofen , CAS No.55843-86-2

CAS: 55843-86-2 Cat. No.: M667948 分子式: C₁₆H₁₄N₂O₂ 分子量: 266.29 EC番号: 110-363-8 PubChem CID: 68752

Synonyms

Miroprofen|Miroprofene|Miroprofen [INN]|Miroprofeno|Miroprofenum|Y-9213|p-Imidazo(1,2-a)pyridin-2-ylhydratropic acid|2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanoic acid|2-(p-(2-Imidazo(1,2-a)pyridyl)phenyl)propionic acid|4-Imidazo(1,2-a)pyridin-2-yl-alpha-methylbenzeneacetic acid|2-(4-(Imidazo(1,2-a)pyridin-2-yl)phenyl)propionic acid|2-[4-(imidazo[1,2-a]pyridin-2-yl)phenyl]propanoic acid|Antopen|Miroprofene [INN-French]|Miroprofenum [INN-Latin]|Miroprofeno [INN-Spanish]|2-[p-(2-imidazo[1,2-a]pyridyl)phenyl]propionic acid|2-(4-(imidazo[1,2-a]pyridin-2-yl)phenyl)propanoic acid|2-[4-(imidazo[1,2-a]pyridin-2-yl)phenyl]propionic acid|1-Methoxy-3-(2-nitro-1-imidazolyl)-2-propanol|2-(p-(2-Imidazo(1,2-a)pyridiyl)phenyl)propionsaeure [German]|Propionic acid, 2-(4-(imidazo(1,2-a)pyridin-2-yl)phenyl)-|MIROPROFEN [JAN]|2-(p-(2-Imidazo(1,2-a)pyridiyl)phenyl)propionsaeure|Propionic acid, 2-(p-(imidazo(1,2-a)pyridin-2-yl)phenyl)-|Benzeneacetic acid, 4-imidazo(1,2-a)pyridin-2-yl-alpha-methyl-

Storage

Room temperature

仕様

同義語

Miroprofen | Miroprofene | Miroprofen [INN] | Miroprofeno | Miroprofenum | Y-9213 | p-Imidazo(1,2-a)pyridin-2-ylhydratropic acid | 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanoic acid | 2-(p-(2-Imidazo(1,2-a)pyridyl)phenyl)propionic acid | 4-Imidazo(1,2-a)pyridin-2-yl-alpha-methylbenzeneacetic acid | 2-(4-(Imidazo(1,2-a)pyridin-2-yl)pheny もっと見る

保管条件

Room temperature

アクションタイプ

INHIBITOR

製品の性質

ALogP

3.5

名前と識別子

カノニカル・スマイル

CC(C1=CC=C(C=C1)C2=CN3C=CC=CC3=N2)C(=O)O

IUPAC Name

2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanoic acid

InChIKey

OJGQFYYLKNCIJD-UHFFFAOYSA-N

INCHI

1S/C16H14N2O2/c1-11(16(19)20)12-5-7-13(8-6-12)14-10-18-9-3-2-4-15(18)17-14/h2-11H,1H3,(H,19,20)

異性体SMILES

CC(C1=CC=C(C=C1)C2=CN3C=CC=CC3=N2)C(=O)O

PubChem CID

68752

分子量

266.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Phenylpropanoic acids Aromatic monoterpenoids Bicyclic monoterpenoids Imidazopyridines Imidazo[1,2-a]pyridines Pyridines and derivatives Benzene and substituted derivatives N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylpropanoic-acid - 4-phenylimidazole - 5-phenylimidazole - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Imidazo[1,2-a]pyridine - Imidazopyridine - Monocyclic benzene moiety - Benzenoid - Pyridine - N-substituted imidazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• External Descriptors: monocarboxylic acid - imidazopyridine

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

関連ターゲット（人間）

PTGS1 Tclin Prostaglandin G/H synthase 1 (1 Activities)

Discover Target: PTGS1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PTGS2 Tclin Prostaglandin G/H synthase 2 (1 Activities)

Discover Target: PTGS2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 分子量: 266.290 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 266.106 Da
• Monoisotopic Mass: 266.106 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 352.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 55843-86-2, the molecular formula is C16H14N2O2, and the molecular weight is 266.29 g/mol. InChIKey OJGQFYYLKNCIJD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.