GR 125487 - Moligand™ , Antagonist of 5-HT 4 receptor, CAS No.144625-67-2, Antagonist of 5-HT 4 receptor

CAS: 144625-67-2 Cat. No.: G610636 Summenformel: C₁₉H₂₆FN₃O₅S Molekulargewicht: 427.5 PubChem CID: 4284721

GRADE & PURITY Moligand™

Synonyms

GR 125487 sulfamate salt | (1-(2-(Methylsulfonamido)ethyl)piperidin-4-yl)-methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate | (1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate | GR125487 | GR-125487 | SCHEMBL2

Storage

Room temperature

Specifications

Synonyme

GR 125487 sulfamate salt | (1-(2-(Methylsulfonamido)ethyl)piperidin-4-yl)-methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate | (1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate | GR125487 | GR-125487 | SCHEMBL2

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of 5-HT 4 receptor

Namen und Kennungen

• Kanonisches Lächeln: COC1=C(C2=C(N1)C=CC(=C2)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C
• IUPAC Name: [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate
• InChIKey: SSPCCAYAIDNNJX-UHFFFAOYSA-N
• INCHI: 1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3
• Isomere SMILES: COC1=C(C2=C(N1)C=CC(=C2)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C
• PubChem CID: 4284721
• Molekulargewicht: 427.5

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: Indolecarboxylic acids and derivatives
• Alternative Parents: Indoles Pyrrole carboxylic acids and derivatives Alkyl aryl ethers Aryl fluorides Benzenoids Organic sulfonamides Organosulfonamides Piperidines Substituted pyrroles Heteroaromatic compounds Aminosulfonyl compounds Vinylogous amides Trialkylamines Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid derivative - Indole - Pyrrole-3-carboxylic acid or derivatives - Alkyl aryl ether - Aryl fluoride - Aryl halide - Piperidine - Benzenoid - Substituted pyrrole - Organic sulfonic acid amide - Organosulfonic acid amide - Heteroaromatic compound - Vinylogous amide - Pyrrole - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Ether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Organosulfur compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked 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)

HTR4 Tclin 5-hydroxytryptamine receptor 4 (1 Activities)

Discover Target: HTR4

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

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 427.500 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 427.158 Da
• Monoisotopic Mass: 427.158 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 651.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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 144625-67-2, the molecular formula is C19H26FN3O5S, and the molecular weight is 427.5 g/mol. InChIKey SSPCCAYAIDNNJX-UHFFFAOYSA-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.