SM-130,686 - Moligand™ , Agonist of ghrelin receptor, CAS No.259667-25-9, Agonist of ghrelin receptor

CAS: 259667-25-9 Cat. No.: S613628 PubChem CID: 9804743

GRADE & PURITY Moligand™

Synonyms

DTXSID501027155 | YSSPGXCFFITNCE-OAQYLSRUSA-N | 1H-Indole-6-carboxamide, 3-(2-chlorophenyl)-1-(2-(diethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-oxo-4-(trifluoromethyl)-, (3S)- | SCHEMBL6376444 | BDBM50151162 | SM 130686 | 1GH34I6261 | Q27895838 | UNII-1GH34

Storage

Room temperature

Specifications

Synonyme

DTXSID501027155 | YSSPGXCFFITNCE-OAQYLSRUSA-N | 1H-Indole-6-carboxamide, 3-(2-chlorophenyl)-1-(2-(diethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-oxo-4-(trifluoromethyl)-, (3S)- | SCHEMBL6376444 | BDBM50151162 | SM 130686 | 1GH34I6261 | Q27895838 | UNII-1GH34

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

AGONIST

Mechanismus der Wirkung

Agonist of ghrelin receptor

Namen und Kennungen

• Kanonisches Lächeln: CCN(CCN1c2cc(cc(c2[C@](C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC
• IUPAC Name: (3R)-3-(2-chlorophenyl)-1-(2-diethylaminoethyl)-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide
• InChIKey: YSSPGXCFFITNCE-OAQYLSRUSA-N
• INCHI: 1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)/t21-/m1/s1
• Isomere SMILES: CCN(CC)CCN1C2=CC(=CC(=C2[C@@](C1=O)(C3=CC=CC=C3Cl)O)C(F)(F)F)C(=O)N
• PubChem CID: 9804743

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxamides and derivatives
• Alternative Parents: Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Tertiary alcohols Trialkylamines Primary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxamide derivative - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Tertiary carboxylic acid amide - Tertiary amine - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Lactam - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Alkyl halide - Alcohol - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
• 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

Zugehörige Ziele (menschlich)

GHSR Tclin Growth hormone secretagogue receptor type 1 (4 Activities)

Discover Target: GHSR

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

GHSR Tclin Ghrelin receptor (6229 Activities)

Discover Target: GHSR

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 469.900 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 469.138 Da
• Monoisotopic Mass: 469.138 Da
• Topological Polar Surface Area: 86.900 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 706.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Häufig gestellte Fragen

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 259667-25-9. InChIKey YSSPGXCFFITNCE-OAQYLSRUSA-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.