Geissoschizine methyl ether - ≥98% , CAS No.60314-89-8

CAS: 60314-89-8 Cat. No.: G649582 Peso molecular: 366.5 PubChem CID: 6443046

GRADE & PURITY ≥98%

Synonyms

methyl (Z)-2-[(2S,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate | HY-N2411 | CORYNAN-16-CARBOXYLIC ACID, 16,17,19,20-TETRADEHYDRO-17-METHOXY-, METHYL ESTER, (16Z,19E)- | AKOS037515314 | INDOLO(2,3-A

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Geissoschizine methyl ether, a major indole alkaloid found in Uncaria hook, is a major active component of Yokukansan with psychotropic effects. Geissoschizine methyl ether is potent 5-HT 1A receptor agonist

Form:Solid

IC50& Target:5-HT 1A Receptor

Specifications

Sinónimos

methyl (Z)-2-[(2S, 3E, 12bS)-3-ethylidene-2, 4, 6, 7, 12, 12b-hexahydro-1H-indolo[2, 3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate | HY-N2411 | CORYNAN-16-CARBOXYLIC ACID, 16, 17, 19, 20-TETRADEHYDRO-17-METHOXY-, METHYL ESTER, (16Z, 19E)- | AKOS037515314 | INDOLO(2, 3-A

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Geissoschizine methyl ether, a major indole alkaloid found in Uncaria hook, is a major active component of Yokukansan with psychotropic effects. Geissoschizine methyl ether is potent 5-HT 1A receptor agonist.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Tipo de acción

AGONIST

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC=C1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=CC=CC=C34
• IUPAC Name: methyl (Z)-2-[(2S,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
• InChIKey: VAMJZLUOKJRHOW-XEASWFAXSA-N
• INCHI: 1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13,17,20,23H,9-12H2,1-3H3/b14-4-,18-13-/t17-,20-/m0/s1
• Isómeros SMILES: C/C=C\1/CN2CCC3=C([C@@H]2C[C@@H]1/C(=C/OC)/C(=O)OC)NC4=CC=CC=C34
• CAS alternativo: 60314-89-8
• PubChem CID: 6443046
• Peso molecular: 366.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Corynanthean-type alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Corynanthean-type alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Corynanthean-type alkaloids
• Alternative Parents: Beta carbolines 3-alkylindoles Quinolizines Aralkylamines Benzenoids Piperidines Methyl esters Heteroaromatic compounds Enoate esters Pyrroles Vinylogous esters Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Corynanthean skeleton - Beta-carboline - Pyridoindole - Quinolizine - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Piperidine - Benzenoid - Vinylogous ester - Pyrrole - Methyl ester - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as corynanthean-type alkaloids. These are alkaloids with a structure based on the corynanthean nucleus, which is a tetracycle characterized by an indole fused to a quinolizidine. Additionally, the quinolizidine ring system is substituted to a 2-methylpropyl group and one ethyl group.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (272.89 mM; Need ultrasonic)
• Peso molecular: 366.500 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 366.194 Da
• Monoisotopic Mass: 366.194 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 629.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Referencias

1. Xiaochen Su, Weitao Zhao, Lulu Wang, Panpan Song, Xingbo Wang, Xuefei Jin, Haiyuan Zhang.  (2026)  Targeted Delivery and Controlled Release of Deferasirox for Melanoma Therapy.  iScience,      [PMID:] [10.1016/j.isci.2026.115303]