PF 04418948 - Moligand™, ≥98%, used for PF-04418948 has been used in TG (trigeminal ganglion) explant culture. various applications , Antagonist of EP 2 receptor, CAS No.1078166-57-0, Antagonist of EP 2 receptor

CAS: 1078166-57-0 Cat. No.: P286546 Formule: C₂₃H₂₀FNO₅ Poids moléculaire: 409.41 PubChem CID: 25114442

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-(4-Methylphenylsulfonyl)-N'-butylurea | AC-36273 | 1-(4-fluorobenzoyl)-3-((6-methoxynaphthalen-2-yloxy)methyl)azetidine-3-carboxylic acid | Benzolin (vasodilator) (VAN) | HY-18966 | PF-04418948; PF 04418948; PF4418948; PF-4418948; PF 4418948 | PF0441894

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

N-(4-Methylphenylsulfonyl)-N'-butylurea | AC-36273 | 1-(4-fluorobenzoyl)-3-((6-methoxynaphthalen-2-yloxy)methyl)azetidine-3-carboxylic acid | Benzolin (vasodilator) (VAN) | HY-18966 | PF-04418948; PF 04418948; PF4418948; PF-4418948; PF 4418948 | PF0441894

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

PF-04418948 represses the formation of colorectal tumor. PF-04418948 is a PGE2 Receptor (EP2) specific antagonist (IC50 = 16 nM) with greater than 2000-fold selectivity over other EP subtypes. PF-04418948 inhibits EP2 activity in smooth muscle preps from

Application

PF-04418948 has been used in TG (trigeminal ganglion) explant culture.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of EP 2 receptor

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504769972

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769972

Sourires canoniques

COC1=CC2=C(C=C1)C=C(C=C2)OCC3(CN(C3)C(=O)C4=CC=C(C=C4)F)C(=O)O

IUPAC Name

1-(4-fluorobenzoyl)-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxylic acid

InChIKey

LWJGMYMNSNVCEM-UHFFFAOYSA-N

INCHI

1S/C23H20FNO5/c1-29-19-8-4-17-11-20(9-5-16(17)10-19)30-14-23(22(27)28)12-25(13-23)21(26)15-2-6-18(24)7-3-15/h2-11H,12-14H2,1H3,(H,27,28)

Isomères SMILES

COC1=CC2=C(C=C1)C=C(C=C2)OCC3(CN(C3)C(=O)C4=CC=C(C=C4)F)C(=O)O

WGK Allemagne

3

PubChem CID

25114442

Poids moléculaire

409.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: 4-halobenzoic acids and derivatives Benzamides Anisoles Benzoyl derivatives Alkyl aryl ethers Azetidinecarboxylic acids Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Naphthalene - Benzamide - Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Azetidinecarboxylic acid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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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PTGER2 Tclin Prostaglandin E2 receptor EP2 subtype (2 Activities)

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PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

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ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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INSR Tclin Insulin receptor (5558 Activities)

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TH Tclin Tyrosine 3-hydroxylase (13 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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ACE Tclin Angiotensin-converting enzyme (1423 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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DRD4 Tchem Dopamine D4 receptor (7907 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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HTR1D Tclin Serotonin 1d (5-HT1d) receptor (2897 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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Cdk4 Cyclin-dependent kinase 4 (3 Activities)

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Mc4r Melanocortin receptor 4 (1205 Activities)

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Fgfr4 Fibroblast growth factor receptor 4 (138 Activities)

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

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Camk2g CaM kinase II gamma (1 Activities)

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Tec Tyrosine-protein kinase TEC (25 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Gabrp GABA-A receptor; anion channel (5731 Activities)

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pknB Serine/threonine-protein kinase pknB (356 Activities)

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CDPK1 Calcium-dependent protein kinase 1 (793 Activities)

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CRK2 Cell division control protein 2 homolog (194 Activities)

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Gria2 Glutamate receptor ionotropic, AMPA (2103 Activities)

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Cacna1c Voltage-gated L-type calcium channel (1164 Activities)

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PDE6B Phosphodiesterase 6 (112 Activities)

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Slc14a1 Urea transporter 1 (62 Activities)

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Tmem97 Sigma intracellular receptor 2 (922 Activities)

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SARS-CoV-2 (38078 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 40.94, Max Conc. mM: 100
• Poids moléculaire: 409.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 409.133 Da
• Monoisotopic Mass: 409.133 Da
• Topological Polar Surface Area: 76.100 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 629.000
• 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