Prostaglandin D1 - ≥98% , CAS No.17968-82-0

CAS: 17968-82-0 Cat. No.: P345166 Peso molecular: 354.5 PubChem CID: 5280936

GRADE & PURITY ≥98%

Synonyms

Prostaglandin D1 | FOT50Z88GW | PGD1 | 9alpha,15S-dihydroxy-11-oxo-prost-13E-en-1-oic acid | 5-Hydroxy-2-(3-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoic acid | 9α,15S-dihydroxy-11-oxo-prost-13E-en-1-oic acid | Cyclopentaneheptanoic | 9S,15S-dihydroxy-11-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Prostaglandin D1 is a relatively weak inhibitor of ADP-induced platelet aggregation; its potency is about 1/10 of PGD2.

Specifications

Sinónimos

Prostaglandin D1 | FOT50Z88GW | PGD1 | 9alpha, 15S-dihydroxy-11-oxo-prost-13E-en-1-oic acid | 5-Hydroxy-2-(3-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoic acid | 9α, 15S-dihydroxy-11-oxo-prost-13E-en-1-oic acid | Cyclopentaneheptanoic | 9S, 15S-dihydroxy-11-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCCC(C=CC1C(C(CC1=O)O)CCCCCCC(=O)O)O
• IUPAC Name: 7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]heptanoic acid
• InChIKey: CIMMACURCPXICP-PNQRDDRVSA-N
• INCHI: 1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1
• Isómeros SMILES: CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)CCCCCCC(=O)O)O
• PubChem CID: 5280936
• Peso molecular: 354.5

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 Fatty alcohols Hydroxy fatty acids Cyclopentanols Cyclic ketones Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Prostaglandin skeleton - Long-chain fatty acid - Fatty alcohol - Hydroxy fatty acid - Cyclopentanol - Cyclic alcohol - Cyclic ketone - Ketone - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic homomonocyclic 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: Prostaglandins

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMF: >100 mg/ml (from PGD2)；DMSO: >50 mg/ml (from PGD2)；Ethanol: >75 mg/ml (from PGD2)；PBS pH 7.2: >5 mg/ml (from PGD2)
• Peso molecular: 354.500 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 354.241 Da
• Monoisotopic Mass: 354.241 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 432.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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