1-Methylpsilocin - ≥99%(HPLC) , CAS No.1465-16-3

CAS: 1465-16-3 Cat. No.: M286960 Formule: C₁₃H₁₈N₂O Poids moléculaire: 218.29

GRADE & PURITY ≥99%(HPLC)

Synonyms

1-METHYLPSILOCIN | SCHEMBL12558828 | UNII-65MKC68UST | 1H-Indol-4-ol, 3-[2-(dimethylamino)ethyl]-1-methyl- | BDBM50171261 | 3-[2-(Dimethylamino)ethyl]-1-methyl-1H-indol-4-ol | 3-(2-(Dimethylamino)ethyl)-1-methyl-1H-indol-4-ol | 65MKC68UST | J-008232 | 3-[

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

1-METHYLPSILOCIN | SCHEMBL12558828 | UNII-65MKC68UST | 1H-Indol-4-ol, 3-[2-(dimethylamino)ethyl]-1-methyl- | BDBM50171261 | 3-[2-(Dimethylamino)ethyl]-1-methyl-1H-indol-4-ol | 3-(2-(Dimethylamino)ethyl)-1-methyl-1H-indol-4-ol | 65MKC68UST | J-008232 | 3-[

Spécifications et pureté

≥99%(HPLC)

Mécanismes biochimiques et physiologiques

Potent and selective 5-HT2Cagonist (IC50values are 12 and 633 nM for 5-HT2Cand 5-HT2Areceptors respectively). Displays high affinity for the 5-HT2Breceptor (Ki= 38 nM) but acts as an inverse agonist. Activein vivo; inhibits scratching in a mouse model of

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%(HPLC)

Noms et identifiants

• Sourires canoniques: CN1C=C(C2=C1C=CC=C2O)CCN(C)C
• IUPAC Name: 3-[2-(dimethylamino)ethyl]-1-methylindol-4-ol
• InChIKey: MZZRFEIDRWKTKJ-UHFFFAOYSA-N
• INCHI: 1S/C13H18N2O/c1-14(2)8-7-10-9-15(3)11-5-4-6-12(16)13(10)11/h4-6,9,16H,7-8H2,1-3H3
• Isomères SMILES: CN1C=C(C2=C1C=CC=C2O)CCN(C)C
• Poids moléculaire: 218.29
• Reaxy-Rn: 175070
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=175070&ln=

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: N-alkylindoles Hydroxyindoles 3-alkylindoles Alkaloids and derivatives Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids N-methylpyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - 3-alkylindole - N-alkylindole - Hydroxyindole - Indole - Alkaloid or derivatives - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - N-methylpyrrole - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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)

HTR2C Tclin 5-hydroxytryptamine receptor 2C (3 Activities)

Discover Target: HTR2C

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

HTR2B Tclin 5-hydroxytryptamine receptor 2B (1 Activities)

Discover Target: HTR2B

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

Discover Target: HTR2A

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

HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

Discover Target: HTR2C

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 21.83, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 2.18, Max Conc. mM: 10
• Poids moléculaire: 218.290 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.142 Da
• Monoisotopic Mass: 218.142 Da
• Topological Polar Surface Area: 28.400 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