Angoline - Moligand™,≥98% , CAS No.21080-31-9

CAS: 21080-31-9 Cat. No.: A649791 Molecular Weight: 379.41

GRADE & PURITY Moligand™, ≥98%

Synonyms

HY-N7674 | ( inverted exclamation markA)-Angoline | SureCN13103356 | DTXSID90943391 | AKOS040763668 | C09336 | SCHEMBL13103356 | AC1Q703U | CHEBI:2721 | 1,2,13-Trimethoxy-12-methyl-12,13-dihydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine | 6-Methox

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

HY-N7674 | ( inverted exclamation markA)-Angoline | SureCN13103356 | DTXSID90943391 | AKOS040763668 | C09336 | SCHEMBL13103356 | AC1Q703U | CHEBI:2721 | 1, 2, 13-Trimethoxy-12-methyl-12, 13-dihydro-[1, 3]dioxolo[4', 5':4, 5]benzo[1, 2-c]phenanthridine | 6-Methox

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Angoline is a potent and selective IL6/STAT3 signaling pathway inhibitor with an IC 50 of 11.56 μM. Angoline inhibits STAT3 phosphorylation and its target gene expression, and inhibits cancer cell proliferation.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN1C(C2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC
• IUPAC Name: 1,2,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
• InChIKey: LVWAKZBZWYHYCJ-UHFFFAOYSA-N
• INCHI: 1S/C22H21NO5/c1-23-20-14(6-5-12-9-17-18(10-15(12)20)28-11-27-17)13-7-8-16(24-2)21(25-3)19(13)22(23)26-4/h5-10,22H,11H2,1-4H3
• Isomeric SMILES: CN1C(C2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC
• Alternate CAS: 21080-31-9；1071676-04-4
• MeSH Entry Terms: angoline
• Molecular Weight: 379.41

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 Anisoles Alkyl aryl ethers Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydrobenzophenanthridine alkaloid skeleton - Benzoquinoline - Phenanthridine - Naphthalene - Quinoline - Benzodioxole - Anisole - Dialkylarylamine - Alkyl aryl ether - Benzenoid - Organoheterocyclic compound - Azacycle - Ether - Acetal - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - 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: benzophenanthridine alkaloid

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)

CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

Discover Target: CYP1B1

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

CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)

Discover Target: CYP1A1

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 20.83 mg/mL (54.90 mM; Need ultrasonic)
• Sensitivity: light sensitive
• Molecular Weight: 379.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 379.142 Da
• Monoisotopic Mass: 379.142 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 561.000
• 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