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

CAS: 1465-16-3 Cat. No.: M286960 Summenformel: C₁₃H₁₈N₂O Molekulargewicht: 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

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Specifications

Synonyme

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-[

Spezifikationen & Reinheit

≥99%(HPLC)

Biochemische und physiologische Mechanismen

Potenter und selektiver 5-HT2C-Agonist (IC50-Werte sind 12 und 633 nM für 5-HT2C- bzw. 5-HT2A-Rezeptoren). Zeigt hohe Affinität für den 5-HT2B-Rezeptor (Ki= 38 nM), wirkt jedoch als inverser Agonist. Aktiv in vivo; hemmt das Kratzen in einem Mausmodell vo

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥99%(HPLC)

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: CN1C=C(C2=C1C=CC=C2O)CCN(C)C
• Molekulargewicht: 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
    • Klasse Indoles and derivatives
      • Subclass Tryptamines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

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

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

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 21.83, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 2.18, Max Conc. mM: 10
• Molekulargewicht: 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