AH23848 hemicalcium salt - Moligand™, ≥90% , Antagonist of EP 4 receptor;Antagonist of TP receptor, CAS No.81496-19-7, Antagonist of EP 4 receptor;Antagonist of TP receptor

CAS: 81496-19-7 Cat. No.: A338132 Peso molecular: 496.62

GRADE & PURITY Moligand™, ≥90%

Synonyms

(4Z)-7-[(rel-1S,2S,5R)-5-((1,1′-Biphenyl-4-yl)methoxy)-2-(4-morpholinyl)-3-oxocyclopentyl]- 4-heptenoic acid hemicalcium salt

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

AH23848 has been used as an prostaglandin E2 receptor 4 (EP4) receptor antagonist to study its effect on cAMP accumulation in monocrotaline (MCT28d) rat pulmonary arterial smooth muscle cells (PASMCs)and human T cell enriched peripheral blood mononuclear cells (PBMC).It has also been used to study its effect on the expressions of collagen-I, metalloproteinase (MMP-1), MMP-3, and EP4 gene expression in human tendon fibroblasts following interleukin (IL)-1β treatment.

Specifications

Sinónimos

(4Z)-7-[(rel-1S, 2S, 5R)-5-((1, 1′-Biphenyl-4-yl)methoxy)-2-(4-morpholinyl)-3-oxocyclopentyl]- 4-heptenoic acid hemicalcium salt

Especificaciones y pureza

Moligand™, ≥90%

Mecanismos bioquímicos y fisiológicos

AH23848 regulates nitric oxide (NO) production and reduces endogenous cAMP accumulation. This is carried out by declination of inducible nitric oxide synthase (iNOS) gene expression and acceleration of iNOS protein degradation in glomerular mesangial cell

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of EP 4 receptor;Antagonist of TP receptor

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: C1COCCN1C2C(C(CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CCC=CCCC(=O)O
• IUPAC Name: (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
• InChIKey: IOFUFYLETVNNRF-OSAZKUMMSA-N
• INCHI: 1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1-/t25-,27-,29+/m0/s1
• Isómeros SMILES: C1COCCN1[C@@H]2[C@H]([C@H](CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CC/C=C\CCC(=O)O
• WGK Alemania: 3
• Términos de entrada MeSH: 7-(5-(((1,1-biphenyl)-4-yl)methoxy)-2-(4-morpholinyl)-3-oxocyclopentyl)-4-heptanoic acid;AH 23848;AH 23848B;AH-23848;AH23848
• Peso molecular: 496.62
• Reaxy-Rn: 11714447
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11714447&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzylethers Medium-chain fatty acids Amino fatty acids Heterocyclic fatty acids Unsaturated fatty acids Morpholines Trialkylamines Amino acids Cyclic ketones Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Carboxylic acids Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Benzylether - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Morpholine - Oxazinane - Unsaturated fatty acid - Fatty acid - Fatty acyl - Ketone - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Amino acid - Cyclic ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Objetivos asociados (humanos)

PTGER4 Tclin Prostaglandin E2 receptor EP4 subtype (2 Activities)

Discover Target: PTGER4

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

TBXA2R Tclin Thromboxane A2 receptor (1 Activities)

Discover Target: TBXA2R

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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (~5 mg/ml).
• Peso molecular: 477.600 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 477.252 Da
• Monoisotopic Mass: 477.252 Da
• Topological Polar Surface Area: 76.100 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 689.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1