Tetrahydrocoptisine - ≥97% , CAS No.4312-32-7

CAS: 4312-32-7 Cat. No.: T274671 Molecular Weight: 323.34 PubChem CID: 6770

GRADE & PURITY ≥97%

Synonyms

NSC 110382 | AKOS000277992 | 7461-02-1 (racemic) | SCHEMBL433598 | dl-Stylopine | ( inverted exclamation markA)-Stylopine | (.+-.)-Stylopine | (.+/-.)-Tetrahydrocoptisine | 6,7,12b,13-Tetrahydro-4H-[1,3]dioxolo[4',5':7,8]isoquinolino[3,2-a][1,3]dioxolo[4,

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Store at +4°C. The product can be stored for up to 12 months.

Specifications

Synonyms

NSC 110382 | AKOS000277992 | 7461-02-1 (racemic) | SCHEMBL433598 | dl-Stylopine | ( inverted exclamation markA)-Stylopine | (.+-.)-Stylopine | (.+/-.)-Tetrahydrocoptisine | 6, 7, 12b, 13-Tetrahydro-4H-[1, 3]dioxolo[4', 5':7, 8]isoquinolino[3, 2-a][1, 3]dioxolo[4,

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Anti-inflammatory agent. Reduces NF-κB expression and NO production. Inhibits LPS-induced NF-κBp65 translocation. Reduces TNF-α and IL-6 levels. Shows anti-inflammatory effects in vivo.

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.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504751167
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751167
• Canonical Smiles: C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6
• IUPAC Name: 5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene
• InChIKey: UXYJCYXWJGAKQY-UHFFFAOYSA-N
• INCHI: 1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2
• Isomeric SMILES: C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6
• Alternate CAS: 7461-02-1
• PubChem CID: 6770
• Molecular Weight: 323.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Protoberberine alkaloids and derivatives

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Protoberberine alkaloids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Protoberberine alkaloids and derivatives
• Alternative Parents: Tetrahydroisoquinolines Benzodioxoles Aralkylamines Benzenoids Trialkylamines Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Protoberberine skeleton - Tetrahydroprotoberberine skeleton - Tetrahydroisoquinoline - Benzodioxole - Aralkylamine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton.
• External Descriptors: a small molecule

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)

HGC-27 (1452 Activities)

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

MGC-803 (6426 Activities)

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

Associated Targets(non-human)

NA Neuraminidase (1107 Activities)

Discover Target: NA

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

Mus musculus (284745 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Chloroform: 5 mg/ml；DMF: 1 mg/ml
• Sensitivity: light & moisture sensitive
• Molecular Weight: 323.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 323.116 Da
• Monoisotopic Mass: 323.116 Da
• Topological Polar Surface Area: 40.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 502.000
• 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