(±)-U-50488 hydrochloride - Moligand™, ≥98% , CAS No.67197-96-0

CAS: 67197-96-0 Cat. No.: U288152 分子式: C₁₉H₂₆Cl₂N₂O.HCl 分子量: 405.79

GRADE & PURITY Moligand™, ≥98%

Synonyms

(±)-Trans-(1R,2R)-U-50488 hydrochloride

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

(±)-U-50488 hydrochloride is a selective κ opioid receptor (KOR) agonist.

Specifications

同義語

(±)-Trans-(1R,2R)-U-50488 hydrochloride

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

Selectiveκ-opioid agonist. At higher concentrations blocks Na+channels.(-)-enantiomerand(+)-enantiomeralso available.

保管条件

Store at -20°C,Desiccated

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

純度

≥98%

名前と識別子

• カノニカル・スマイル: CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl
• IUPAC Name: 2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
• InChIKey: KGMMGVIYOHGOKQ-JAXOOIEVSA-N
• INCHI: 1S/C19H26Cl2N2O.ClH/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1H/t17-,18-;/m1./s1
• 異性体SMILES: CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl
• 代替CAS番号: 114528-81-3
• 分子量: 405.79

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Dichlorobenzenes Cyclohexylamines N-alkylpyrrolidines Aryl chlorides Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylacetamide - 1,2-dichlorobenzene - Chlorobenzene - Cyclohexylamine - Halobenzene - Aryl chloride - Aryl halide - N-alkylpyrrolidine - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Hydrochloride - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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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TRPV1 Tclin Vanilloid receptor (8273 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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HEK293 (82097 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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Plasmodium falciparum (966862 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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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: Solvent:water, Max Conc. mg/mL: 10.14, Max Conc. mM: 25
• 感度: Moisture sensitive
• 分子量: 405.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 404.119 Da
• Monoisotopic Mass: 404.119 Da
• Topological Polar Surface Area: 23.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 428.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3