6-Methoxydihydrosanguinarine - ≥98% , CAS No.72401-54-8

CAS: 72401-54-8 Cat. No.: M413383 Molecular Weight: 363.36

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Information

6-Methoxydihydrosanguinarine, an lkaloid isolated from the fruits of M.cordata, exhibits strong cytotoxicity against MCF-7 and SF-268 cell lines with IC50 of 0.61 μM and 0.54 μM, respectively.

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

6-Methoxydihydrosanguinarine, an lkaloid isolated from the fruits of M.cordata, exhibits strong cytotoxicity against MCF-7 and SF-268 cell lines with IC50 of 0.61 μM and 0.54 μM, respectively.

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN1C(C2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC
• IUPAC Name: 23-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
• InChIKey: MHPDDMNAUJQRSW-UHFFFAOYSA-N
• INCHI: 1S/C21H17NO5/c1-22-19-13(4-3-11-7-16-17(8-14(11)19)26-9-25-16)12-5-6-15-20(27-10-24-15)18(12)21(22)23-2/h3-8,21H,9-10H2,1-2H3
• Isomeric SMILES: CN1C(C2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC
• Alternate CAS: 151890-26-5
• Molecular Weight: 363.36
• Reaxy-Rn: 1091933
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1091933&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Benzophenanthridine alkaloids
      • Subclass Dihydrobenzophenanthridine alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Benzophenanthridine alkaloids
• Subclass: Dihydrobenzophenanthridine alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Dihydrobenzophenanthridine alkaloids
• Alternative Parents: Phenanthridines and derivatives Naphthalenes Benzodioxoles Dialkylarylamines Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydrobenzophenanthridine alkaloid skeleton - Benzoquinoline - Phenanthridine - Naphthalene - Quinoline - Benzodioxole - Dialkylarylamine - Benzenoid - Azacycle - Organoheterocyclic compound - Acetal - Oxacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dihydrobenzophenanthridine alkaloids. These are alkaloids containing a dihydrobenzophenanthridine skeleton, which is a tetracyclic compound containing a benzene fused to a dihydrophenanthridine moiety.
• 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

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

NCI-H1975 (4994 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light & Moisture Sensitive
• Molecular Weight: 363.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 363.111 Da
• Monoisotopic Mass: 363.111 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 575.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1