S-777469 - ≥98% , Cannabinoid CB2 receptor agonist, CAS No.885496-53-7, Cannabinoid CB2 receptor agonist

CAS: 885496-53-7 Cat. No.: S649527 分子式: C₂₃H₂₇FN₂O₄ 分子量: 414.47 PubChem CID: 57331749

GRADE & PURITY ≥98%

Synonyms

S-777469 | BDBM50380892 | UNII-88NI79737I | Q27269944 | 885496-53-7 | HY-145153 | DTXSID301336647 | 88NI79737I | MS-27176 | SCHEMBL2745978 | CHEMBL2019090

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

S-777469 is a selective and orally available cannabinoid type 2 receptor (CB2) agonist with a K i of 36 nM. S-777469 significantly suppresses compound 48/80-induced scratching behavior in mice in a dose-dependent manner. S-777469 produces its antipruritic effects by inhibiting itch signal transmission through CB2 agonism.

Form:Solid

Specifications

同義語

S-777469 | BDBM50380892 | UNII-88NI79737I | Q27269944 | 885496-53-7 | HY-145153 | DTXSID301336647 | 88NI79737I | MS-27176 | SCHEMBL2745978 | CHEMBL2019090

仕様と純度

≥98%

生化学的・生理学的メカニズム

S-777469 is a selective and orally available cannabinoid type 2 receptor (CB2) agonist with a K i of 36 nM. S-777469 significantly suppresses compound 48/80-induced scratching behavior in mice in a dose-dependent manner. S-777469 produces its antipruriti

保管条件

Protected from light,Store at -80°C

入荷

Dry ice packs + Cold packs

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。

アクションタイプ

AGONIST

作用メカニズム

Cannabinoid CB2 receptor agonist

純度

≥98%

製品の性質

ALogP

3.4

名前と識別子

カノニカル・スマイル

CCC1=C(C=C(C(=O)N1CC2=CC=C(C=C2)F)C(=O)NC3(CCCCC3)C(=O)O)C

IUPAC Name

1-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

InChIKey

JIYXOJFSPOFZPY-UHFFFAOYSA-N

INCHI

1S/C23H27FN2O4/c1-3-19-15(2)13-18(20(27)25-23(22(29)30)11-5-4-6-12-23)21(28)26(19)14-16-7-9-17(24)10-8-16/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,25,27)(H,29,30)

異性体SMILES

CCC1=C(C=C(C(=O)N1CC2=CC=C(C=C2)F)C(=O)NC3(CCCCC3)C(=O)O)C

PubChem CID

57331749

分子量

414.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Nicotinamides Dihydropyridines Fluorobenzenes Methylpyridines Pyridinones Aryl fluorides Vinylogous amides Heteroaromatic compounds Lactams Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-alpha-amino acid - Nicotinamide - Pyridine carboxylic acid or derivatives - Methylpyridine - Dihydropyridine - Fluorobenzene - Halobenzene - Pyridinone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• 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

関連ターゲット（人間）

CNR2 Tchem Cannabinoid receptor 2 (4 Activities)

Discover Target: CNR2

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

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

Discover Target: CNR1

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

CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)

Discover Target: CNR2

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

関連ターゲット（非人間）

Canis familiaris (36305 Activities)

Explore this target

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

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : 83.33 mg/mL (201.05 mM; Need ultrasonic)