U-46619 - Moligand™, ≥98%, 10 mg/mL en acetato de metilo , Agonist of DP 1 receptor;Agonist of DP 2 receptor;Agonist of EP 1 receptor;Agonist of EP 2 receptor;Agonist of EP 3 receptor;Agonist of EP 4 receptor;Agonist of FP receptor;Agonist of IP receptor;, Agonist of DP 1 receptor;Agonist of DP 2 receptor;Agonist of EP 1 receptor;Agonist of EP 2 receptor;Agonist of EP 3 receptor;Agonist of EP 4 receptor;Agonist of FP receptor;Agonist of IP receptor;Agonist of TP receptor

CAS: 56985-40-1 Cat. No.: U275847 Peso molecular: 350.49 Número EC: 637-219-1 PubChem CID: 5311493

GRADE & PURITY Moligand™, ≥98%, 10 mg/mL in methyl acetate

Synonyms

11alpha,9alpha-epoxymethano-PGH2 | Hexalan Red 2G | (Z)-7-((1R,4S,5S,6R)-6-((S,E)-3-hydroxyoct-1-enyl)-2-oxabicyclo[2.2.1]heptan-5-yl)hept-5-enoic acid | HMS1989M16 | Brasilan Azo Bordeaux | BSPBio_001534 | 9,11-Dideoxy-11alpha,9alpha-epoxymethanoprostagl

Storage

Conservar a -20°C,Desecado

Shipped In

Hielera + almohadillas de hielo

Descripción general

Descripción del producto:
U-46619 (9,11-Methanoepoxy PGH2) es un análogo estable del tromboxano A2 (TXA2) y actúa como un potente agonista del TXA2.

Specifications

Sinónimos

11alpha, 9alpha-epoxymethano-PGH2 | Hexalan Red 2G | (Z)-7-((1R, 4S, 5S, 6R)-6-((S, E)-3-hydroxyoct-1-enyl)-2-oxabicyclo[2.2.1]heptan-5-yl)hept-5-enoic acid | HMS1989M16 | Brasilan Azo Bordeaux | BSPBio_001534 | 9, 11-Dideoxy-11alpha, 9alpha-epoxymethanoprostagl

Especificaciones y pureza

Moligand™, ≥98%, 10 mg/mL en acetato de metilo

Mecanismos bioquímicos y fisiológicos

El producto no compite con el ATP. Reversible: no Permeable a las células: no Objetivo primario Mimético estable del tromboxano A2 y vasoconstrictor.

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C, Desecado

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of DP 1 receptor;Agonist of DP 2 receptor;Agonist of EP 1 receptor;Agonist of EP 2 receptor;Agonist of EP 3 receptor;Agonist of EP 4 receptor;Agonist of FP receptor;Agonist of IP receptor;Agonist of TP receptor

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)CO2)O
• IUPAC Name: (Z)-7-[(1R,4S,5S,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
• InChIKey: LQANGKSBLPMBTJ-BRSNVKEHSA-N
• INCHI: 1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1
• Isómeros SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)CO2)O
• WGK Alemania: 2
• CAS alternativo: 56985-40-1
• PubChem CID: 5311493
• Términos de entrada MeSH: (15S)-Hydroxy-11 alpha, 9 alpha-(epoxymethano)prosta-5Z, 13E-dienoic Acid;(15S)hydroxy-9alpha,11alpha-(epoxymethano)prosta-5,13-dienoic acid;11 alpha,9 alpha Epoxymethano PGH2;11 alpha,9 alpha-Epoxymethano PGH2;15-Hydroxy-11 alpha,9 alpha-(epoxymethano)pr
• Peso molecular: 350.49

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Eicosanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Prostaglandins and related compounds
• Alternative Parents: Long-chain fatty acids Bicyclic monoterpenoids Iridoids and derivatives Heterocyclic fatty acids Hydroxy fatty acids Unsaturated fatty acids Oxanes Oxolanes Secondary alcohols Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Oxacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Prostaglandin skeleton - Long-chain fatty acid - Secoiridoid-skeleton - Bicyclic monoterpenoid - Monoterpenoid - Heterocyclic fatty acid - Hydroxy fatty acid - Fatty acid - Oxane - Unsaturated fatty acid - Oxolane - Secondary alcohol - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
• 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)

PTGER2 Tclin Prostaglandin E2 receptor EP2 subtype (2 Activities)

Discover Target: PTGER2

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

PTGDR Tclin Prostaglandin D2 receptor (0 Activities)

Discover Target: PTGDR

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

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)

PTGDR2 Tchem Prostaglandin D2 receptor 2 (1 Activities)

Discover Target: PTGDR2

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

PTGER1 Tclin Prostaglandin E2 receptor EP1 subtype (2 Activities)

Discover Target: PTGER1

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

PTGFR Tclin Prostaglandin F2-alpha receptor (2 Activities)

Discover Target: PTGFR

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

PTGIR Tclin Prostacyclin receptor (1 Activities)

Discover Target: PTGIR

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

PTGER3 Tclin Prostaglandin E2 receptor EP3 subtype (3 Activities)

Discover Target: PTGER3

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

TBXA2R Tclin Thromboxane A2 receptor (3 Activities)

Discover Target: TBXA2R

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

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

Discover Target: TBXA2R

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

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

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

HepG2 (196354 Activities)

Explore this target

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

Objetivos asociados (no humanos)

Cruzipain (33337 Activities)

Explore this target

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol and in DMSO
• Punto de inflamación (°F): 14 °F
• Punto de inflamación (°C): -10 °C
• Peso molecular: 350.500 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 350.246 Da
• Monoisotopic Mass: 350.246 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 457.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1