Phellodendrine chloride - ≥98% , CAS No.104112-82-5

CAS: 104112-82-5 Cat. No.: P275257 Fórmula: C₂₀H₂₄ClNO₄ Peso molecular: 377.86 Número EC: 110-086-2 PubChem CID: 59818

GRADE & PURITY ≥98%

Synonyms

(12BS)-2,11-DIHYDROXY-3,10-DIMETHOXY-6-METHYL-5,6,7,8,12B,13-HEXAHYDRO-6-AZATETRAPHEN-6-IUM CHLORIDE | l-(-)-N-Methylcoreximine | CCG-268381 | Phellodendrine HCl | 13a-alpha-BERBINIUM, 2,11-DIHYDROXY-3,10-DIMETHOXY-7-METHYL-, CHLORIDE | Phellodendrine chl

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Phellodendrine chloride, isolated from the Phellodrndron amurensis, exhibits immunosuppressive and anti-inflammatory activities.
Store at +4°C. The product can be stored for up to 12 months.

Specifications

Sinónimos

(12BS)-2,11-DIHYDROXY-3,10-DIMETHOXY-6-METHYL-5,6,7,8,12B,13-HEXAHYDRO-6-AZATETRAPHEN-6-IUM CHLORIDE | l-(-)-N-Methylcoreximine | CCG-268381 | Phellodendrine HCl | 13a-alpha-BERBINIUM, 2,11-DIHYDROXY-3,10-DIMETHOXY-7-METHYL-, CHLORIDE | Phellodendrine chl

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Immunosuppressant and anti-inflammatory agent. Suppresses local semisyngeneic GvH reactions and systemic allogeneic GvH reactions. Active in vivo.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

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.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504753700

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753700

Sonrisas canónicas

C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C4C2)OC)O)O)OC.[Cl-]

IUPAC Name

(13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol;chloride

InChIKey

DGLDSNPMIYUWGN-OOJQBDKLSA-N

INCHI

1S/C20H23NO4.ClH/c1-21-5-4-12-8-19(24-2)18(23)10-15(12)16(21)6-13-7-17(22)20(25-3)9-14(13)11-21;/h7-10,16H,4-6,11H2,1-3H3,(H-,22,23);1H/t16-,21?;/m0./s1

Isómeros SMILES

C[N+]12CCC3=CC(=C(C=C3[C@@H]1CC4=CC(=C(C=C4C2)OC)O)O)OC.[Cl-]

PubChem CID

59818

Peso molecular

377.86

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Protoberberine alkaloids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Protoberberine alkaloids and derivatives
• Alternative Parents: Tetrahydroisoquinolines Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Tetraalkylammonium salts Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Protoberberine skeleton - Tetrahydroprotoberberine skeleton - Tetrahydroisoquinoline - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: 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: 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

• Peso molecular: 377.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 377.139 Da
• Monoisotopic Mass: 377.139 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 488.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

XLogP3