ST1936 - ≥98% , CAS No.1210-81-7

CAS: 1210-81-7 Cat. No.: S335708 Formule: C₁₃H₁₇ClN₂ Poids moléculaire: 236.74 Numéro CE: 802-314-0 PubChem CID: 9921064

GRADE & PURITY ≥98%

Synonyms

ST 1936 | 5-Chloro-3-[2-(diméthylamino)éthyl] -2-méthylindole

Storage

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Vue d’ensemble

Le ST1936 est un agoniste sélectif des récepteurs 5-HT6 d'affinité nanomolaire avec des valeurs Ki de 13 nM, 168 nM et 245 nM pour les récepteurs humains 5-HT6, 5-HT7 et 5-HT2B, respectivement. Le ST1936 présente également une affinité modérée (Ki de 300 nM) pour les récepteurs adrénergiques α2 humains et rats.

Specifications

Synonymes

ST 1936 | 5-Chloro-3-[2-(diméthylamino)éthyl] -2-méthylindole

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Type d'action

AGONIST

Pureté

≥98%

Propriétés du produit

• Ki Data: SR-6: Ki= 13 nM (human); SR-7: Ki= 168 nM (human); SR-2B: Ki= 245 nM (human); α2 adrenergic receptors : Ki= 300 nM (human)

Noms et identifiants

• Pubchem Sid: 528767210
• Sourires canoniques: CC1=C(C2=C(N1)C=CC(=C2)Cl)CCN(C)C
• IUPAC Name: 2-(5-chloro-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine
• InChIKey: KSYMELKKLOFABL-UHFFFAOYSA-N
• INCHI: 1S/C13H17ClN2/c1-9-11(6-7-16(2)3)12-8-10(14)4-5-13(12)15-9/h4-5,8,15H,6-7H2,1-3H3
• Isomères SMILES: CC1=C(C2=C(N1)C=CC(=C2)Cl)CCN(C)C
• WGK Allemagne: 3
• PubChem CID: 9921064
• Poids moléculaire: 236.74

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: 3-alkylindoles Aralkylamines Substituted pyrroles Benzenoids Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - 3-alkylindole - Indole - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: 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

Cibles associées (humaines)

HTR6 Tchem 5-hydroxytryptamine receptor 6 (2 Activities)

Discover Target: HTR6

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

HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

Discover Target: HTR2B

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

HTR6 Tchem Serotonin 6 (5-HT6) receptor (9749 Activities)

Discover Target: HTR6

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

Cibles associées (non humaines)

Htr7 Serotonin 7 (5-HT7) receptor (19 Activities)

Discover Target: Htr7

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

Adra1b Adrenergic receptor alpha-1 (5652 Activities)

Discover Target: Adra1b

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO (100 mM).
• Indice de réfraction: n20D~1.61 (Predicted)
• Poids moléculaire: 236.740 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 236.108 Da
• Monoisotopic Mass: 236.108 Da
• Topological Polar Surface Area: 19.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 232.000
• 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