E6801 - Moligand™ , Agonist of 5-HT 6 receptor, CAS No.528859-04-3, Agonist of 5-HT 6 receptor

CAS: 528859-04-3 Cat. No.: E610046 PubChem CID: 10202564

GRADE & PURITY Moligand™

Synonyms

W4Q1543X33 | 6-chloro-N-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]imidazo[2,3-b][1,3]thiazole-5-sulfonamide | BDBM34152 | E 6801 | GTPL3217 | SCHEMBL1028804 | DTXSID001122685 | Imidazo[2,1-b]thiazole-5-sulfonamide, 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-

Storage

Room temperature

Specifications

Sinónimos

W4Q1543X33 | 6-chloro-N-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]imidazo[2, 3-b][1, 3]thiazole-5-sulfonamide | BDBM34152 | E 6801 | GTPL3217 | SCHEMBL1028804 | DTXSID001122685 | Imidazo[2, 1-b]thiazole-5-sulfonamide, 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of 5-HT 6 receptor

Nombres e identificadores

• Sonrisas canónicas: CN(CCc1c[nH]c2c1cc(cc2)NS(=O)(=O)c1c(Cl)nc2n1ccs2)C
• IUPAC Name: 6-chloro-N-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]imidazo[2,3-b][1,3]thiazole-5-sulfonamide
• InChIKey: RZAXUKVIIWUIOM-UHFFFAOYSA-N
• INCHI: 1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3
• Isómeros SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)NS(=O)(=O)C3=C(N=C4N3C=CS4)Cl
• PubChem CID: 10202564

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Tryptamines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: 3-alkylindoles Sulfanilides Imidazothiazoles Aralkylamines Aryl chlorides Substituted pyrroles N-substituted imidazoles Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Thiazoles Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - Sulfanilide - 3-alkylindole - Indole - Imidazothiazole - Aralkylamine - Aryl chloride - Aryl halide - N-substituted imidazole - Substituted pyrrole - Organosulfonic acid amide - Benzenoid - Thiazole - Imidazole - Sulfonyl - Azole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Pyrrole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organochloride - Organohalogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
• 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

Objetivos asociados (humanos)

HTR6 Tchem 5-hydroxytryptamine receptor 6 (7 Activities)

Discover Target: HTR6

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 423.900 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 423.059 Da
• Monoisotopic Mass: 423.059 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 631.000
• 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