Miroprofen , CAS No.55843-86-2

CAS: 55843-86-2 Cat. No.: M667948 Formula: C₁₆H₁₄N₂O₂ Molecular Weight: 266.29 EC Number: 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

Specifications

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)pheny Show more

Storage

Room temperature

Action Type

INHIBITOR

Product Properties

alogp

3.5

Names and Identifiers

Canonical Smiles

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)

Isomeric SMILES

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

PubChem CID

68752

Molecular Weight

266.29

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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

Frequently Asked Questions

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.