ICI 192,605 - Moligand™, ≥96% , Antagonist of TP receptor, CAS No.117621-64-4, Antagonist of TP receptor

CAS: 117621-64-4 Cat. No.: I342536 Peso molecular: 402.87 Número EC: 689-667-2

GRADE & PURITY Moligand™, ≥96%

Synonyms

UNII-FQ9418XA31 | ICI 192605 | ICI-192,605 | ICI 192605, >=98% (HPLC) | DTXSID801026087 | 6-(2-(2-Chlorophenyl-4-hydroxyphenyl)-1,3-dioxan-5-yl)hexenoic acid | MYRISTYL-G-PICOLINIUMCHLORIDE | 4-HEXENOIC ACID, 6-((2R,4R,5S)-2-(2-CHLOROPHENYL)-4-(2-HYDROXYP

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

ICI 192,605 is a cell signaling prostaglandin that has been shown to be a potent TXA2R (thromboxane A2 receptor) antagonist. ICI 192,605 competitively inhibits contractile responces to U-46619 .

Specifications

Sinónimos

UNII-FQ9418XA31 | ICI 192605 | ICI-192, 605 | ICI 192605, >=98% (HPLC) | DTXSID801026087 | 6-(2-(2-Chlorophenyl-4-hydroxyphenyl)-1, 3-dioxan-5-yl)hexenoic acid | MYRISTYL-G-PICOLINIUMCHLORIDE | 4-HEXENOIC ACID, 6-((2R, 4R, 5S)-2-(2-CHLOROPHENYL)-4-(2-HYDROXYP

Especificaciones y pureza

Moligand™, ≥96%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

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 TP receptor

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: C1C(C(OC(O1)C2=CC=CC=C2Cl)C3=CC=CC=C3O)CC=CCCC(=O)O
• IUPAC Name: (Z)-6-[(2R,4R,5S)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid
• InChIKey: WHUIENZXNGAHQI-YGPRPMEGSA-N
• INCHI: 1S/C22H23ClO5/c23-18-11-6-4-9-16(18)22-27-14-15(8-2-1-3-13-20(25)26)21(28-22)17-10-5-7-12-19(17)24/h1-2,4-7,9-12,15,21-22,24H,3,8,13-14H2,(H,25,26)/b2-1-/t15-,21+,22+/m0/s1
• Isómeros SMILES: C1[C@@H]([C@@H](O[C@@H](O1)C2=CC=CC=C2Cl)C3=CC=CC=C3O)C/C=C\CCC(=O)O
• WGK Alemania: 3
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 402.87
• Reaxy-Rn: 43075792
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43075792&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Halogenated fatty acids Heterocyclic fatty acids Hydroxy fatty acids 1,3-dioxanes Unsaturated fatty acids Aryl chlorides Carboxylic acids Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Medium-chain fatty acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Phenol - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Meta-dioxane - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Unsaturated fatty acid - Acetal - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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)

TBXA2R Tclin Thromboxane A2 receptor (1 Activities)

Discover Target: TBXA2R

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (≥20 mg/mL).
• Peso molecular: 402.900 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 402.123 Da
• Monoisotopic Mass: 402.123 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 525.000
• 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