Ro64-6198 - Moligand™ , Agonist of NOP receptor, CAS No.280783-56-4, Agonist of NOP receptor

CAS: 280783-56-4 Cat. No.: R613258 PubChem CID: 9844019

GRADE & PURITY Moligand™

Synonyms

Q7339209 | HKN6H9XXS6 | BDBM50420802 | 1,3,8-Triazaspiro(4.5)decan-4-one, 8-((1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)-1-phenyl- | Ro 64-6198 | SCHEMBL2240259 | AKOS040742563 | GTPL1684 | DTXSID901018435 | (1S,3aS)-8-(2,3,3a,4,5,6-hexahydro-1H-phe

Storage

Room temperature

Specifications

Sinónimos

Q7339209 | HKN6H9XXS6 | BDBM50420802 | 1,3,8-Triazaspiro(4.5)decan-4-one, 8-((1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)-1-phenyl- | Ro 64-6198 | SCHEMBL2240259 | AKOS040742563 | GTPL1684 | DTXSID901018435 | (1S,3aS)-8-(2,3,3a,4,5,6-hexahydro-1H-phe

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

AGONIST

Mecanismo de ação

Agonist of NOP receptor

Nomes e identificadores

• Sorrisos canónicos: C1CC2CCC(C3=CC=CC(=C23)C1)N4CCC5(CC4)C(=O)NCN5C6=CC=CC=C6
• IUPAC Name: 8-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• InChIKey: JLFMYEAXZNPWBK-REWPJTCUSA-N
• INCHI: 1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m0/s1
• SMILES isoméricas: C1C[C@H]2CC[C@@H](C3=CC=CC(=C23)C1)N4CCC5(CC4)C(=O)NCN5C6=CC=CC=C6
• CAS alternativo: 280783-56-4
• PubChem CID: 9844019
• Termos de entrada MeSH: 8-(2,3,3a,4,5,6-hexahydro-1H-phenylen-1-yl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one;Ro 64-6198;Ro-64-6198;RO0646198;Ro64-6198

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylimidazolidines
• Alternative Parents: Tetralins Azaspirodecane derivatives Alpha amino acids and derivatives Dialkylarylamines Aniline and substituted anilines Aralkylamines Piperidines Imidazolidinones Trialkylamines Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylimidazolidine - Alpha-amino acid or derivatives - Azaspirodecane - Tetralin - Aniline or substituted anilines - Dialkylarylamine - Aralkylamine - Monocyclic benzene moiety - Imidazolidinone - Piperidine - Benzenoid - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organic oxide - Amine - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group.
• 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

Alvos associados (humanos)

OPRL1 Tchem Nociceptin receptor (4 Activities)

Discover Target: OPRL1

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

OPRM1 Tclin Mu opioid receptor (19785 Activities)

Discover Target: OPRM1

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

OPRD1 Tclin Delta opioid receptor (15096 Activities)

Discover Target: OPRD1

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

OPRK1 Tclin Kappa opioid receptor (16155 Activities)

Discover Target: OPRK1

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

OPRL1 Tchem Nociceptin receptor (3823 Activities)

Discover Target: OPRL1

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 401.500 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 401.247 Da
• Monoisotopic Mass: 401.247 Da
• Topological Polar Surface Area: 35.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 636.000
• 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: 1

Perguntas frequentes

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 280783-56-4. InChIKey JLFMYEAXZNPWBK-REWPJTCUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.