SKF89976A - Moligand™ , Inhibitor of GAT1, CAS No.S613613, Inhibitor of GAT1

CAS: S613613 Cat. No.: S613613 PubChem CID: 92409

GRADE & PURITY Moligand™

Synonyms

C.I. 58005 | NCGC00024987-02 | SCHEMBL676998 | SKF-89976 | SK&F 100561 | Q15427858 | Skf 89976A | 3-Piperidinecarboxylic acid, 1-(4,4-diphenyl-3-butenyl)- | 1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxylic acid | 1-(4,4-diphenylbut-3-enyl)piperidine-3-

Storage

Room temperature

Specifications

Sinonimi

C.I. 58005 | NCGC00024987-02 | SCHEMBL676998 | SKF-89976 | SK&F 100561 | Q15427858 | Skf 89976A | 3-Piperidinecarboxylic acid, 1-(4,4-diphenyl-3-butenyl)- | 1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxylic acid | 1-(4,4-diphenylbut-3-enyl)piperidine-3-

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Inhibitor of GAT1

Nomi e identificatori

• Sorrisi canonici: OC(=O)C1CCCN(C1)CC/C=C(\c1ccccc1)/c1ccccc1
• IUPAC Name: 1-(4,4-diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid
• InChIKey: TXQKSMSLZVKQBI-UHFFFAOYSA-N
• INCHI: 1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)
• Isomeri SMILES: C1CC(CN(C1)CCC=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
• PubChem CID: 92409

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Piperidinecarboxylic acids Styrenes Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Piperidinecarboxylic acid - Styrene - Piperidine - Amino acid or derivatives - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Obiettivi associati (umani)

SLC6A1 Tclin Sodium- and chloride-dependent GABA transporter 1 (4 Activities)

Discover Target: SLC6A1

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

Proprietà chimiche e fisiche

• Peso molecolare: 335.400 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 335.189 Da
• Monoisotopic Mass: 335.189 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 427.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

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 S613613. InChIKey TXQKSMSLZVKQBI-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.