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

CAS: 246246-19-5 Cat. No.: A347979 分子式: C₂₄H₃₁FO₄ 分子量: 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

概要

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

同義語

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

仕様と純度

Moligand™, ≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of FP receptor

純度

≥98%

製品の性質

• pKa: pKa: 4.76 (Predicted)

名前と識別子

• カノニカル・スマイル: 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
• 異性体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ドイツ: 3
• PubChem CID: 5311238
• 分子量: 402.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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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HEK293 (82097 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

Discover Target: RAB9A

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関連ターゲット（非人間）

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Discover Target: Nfe2l2

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作用メカニズム

化学的性質と物理的性質

• 溶解度: 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).
• 屈折率: n20D1.58 (Predicted)
• 沸点（°C）: ~594.6° C at 760 mmHg (Predicted)
• 融点（°C）: 232.63° C (Predicted)
• 分子量: 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