AL 8810 - Moligand™, ≥98% , Agonist of FP receptor, CAS No.246246-19-5, Agonist of FP receptor

CAS: 246246-19-5 Cat. No.: A347979 Formule: C₂₄H₃₁FO₄ Poids moléculaire: 402.5 PubChem CID: 5311238

GRADE & PURITY Moligand™, ≥98%

Synonyms

AL 8810 | HY-100449 | HMS3261O18 | 12QE8J6004 | SDCCGSBI-0050035.P002 | DTXSID701017217 | (5Z, 13E)-(9S,11S,15R)-9,15,Dihydroxy-11-fluoro-15-(2-indanyl)-16,17,18,19,20,pentanor-5,13-prostadienoic acid | CHEBI:177643 | SR-01000075674 | SR-01000075674-4 | S

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

AL 8810 is an 11β-fluoro analog of PGF2α which acts as a potent and selective antagonist at the PGF2αR (FP receptor). AL 8810 has weak intrinsic agonist activity on FP receptor preparations in the 200-300 nM range, yet it fully antagonizes the activity of the potent FP receptor agonist fluprostenol at this concentration, with EC50 values of approximately 430 nM. AL 8810 fully antagonized the bimatoprost-induced calcium mobilization in Swiss 3T3 fibroblasts at 100 μM, indicating that bimatoprost acts as an FP agonist in this preparation. The Ki for the inhibition of several potent agonists at the cloned human ciliary body FP receptor is in the range of 1-2 μM.

Specifications

Synonymes

AL 8810 | HY-100449 | HMS3261O18 | 12QE8J6004 | SDCCGSBI-0050035.P002 | DTXSID701017217 | (5Z, 13E)-(9S,11S,15R)-9,15,Dihydroxy-11-fluoro-15-(2-indanyl)-16,17,18,19,20,pentanor-5,13-prostadienoic acid | CHEBI:177643 | SR-01000075674 | SR-01000075674-4 | S

Spécifications et pureté

Moligand™, ≥98%

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

AGONIST

Mécanisme d'action

Agonist of FP receptor

Pureté

≥98%

Propriétés du produit

• pKa: pKa: 4.76 (Predicted)

Noms et identifiants

• Sourires canoniques: C1C(C(C(C1F)C=CC(C2CC3=CC=CC=C3C2)O)CC=CCCCC(=O)O)O
• IUPAC Name: (Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid
• InChIKey: WTYSXBKKVNOOIX-JTGCGUAKSA-N
• INCHI: 1S/C24H31FO4/c25-21-15-23(27)20(9-3-1-2-4-10-24(28)29)19(21)11-12-22(26)18-13-16-7-5-6-8-17(16)14-18/h1,3,5-8,11-12,18-23,26-27H,2,4,9-10,13-15H2,(H,28,29)/b3-1-,12-11+/t19-,20-,21+,22+,23+/m1/s1
• Isomères SMILES: C1[C@@H]([C@@H]([C@H]([C@H]1F)/C=C/[C@@H](C2CC3=CC=CC=C3C2)O)C/C=C\CCCC(=O)O)O
• WGK Allemagne: 3
• PubChem CID: 5311238
• Poids moléculaire: 402.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Indanes Hydroxy fatty acids Halogenated fatty acids Unsaturated fatty acids Cyclopentanols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Long-chain fatty acid - Indane - Halogenated fatty acid - Hydroxy fatty acid - Cyclopentanol - Benzenoid - Unsaturated fatty acid - Cyclic alcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl fluoride - Alcohol - Carbonyl group - Organofluoride - Organohalogen compound - Alkyl halide - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO (~25 mg/ml), ethanol (~25 mg/ml), DMF (~25 mg/ml), PBS (pH 7.2) (~0.05 mg/ml), and water (0.05 mg/ml at 25° C).
• Indice de réfraction: n20D1.58 (Predicted)
• Point d'ébullition (°C): ~594.6° C at 760 mmHg (Predicted)
• Point de fusion (°C): 232.63° C (Predicted)
• Poids moléculaire: 402.500 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 402.221 Da
• Monoisotopic Mass: 402.221 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 575.000
• 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