Corypalmine - 10mM in DMSO , CAS No.27313-86-6

CAS: 27313-86-6 Cat. No.: C422963 Summenformel: C₂₀H₂₃NO₄ Molekulargewicht: 341.4

GRADE & PURITY 10mM in DMSO

Synonyms

2,9,10-trimethoxyberbin-3-ol | Tetrahydrojateorrhizine | (invertedexclamationmarkA)-Corypalmine | 2,9,10-Trimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-3-ol # | PSI 5004 | B0005-129029 | dl-Tetrahydrojatrorrhizine | 6H-Dibenzo[a,g]quinoliz

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

Corypalmine Corypalmine ((R)-(+)-Corypalmine), an alkaloid isolated from Stephania cepharantha , is an inhibitor of prolyl endopeptidase/oligopeptidase (PREP/POP) with IC50 of 128.0 μM.

Targets

PREP/POP (Cell-free assay) 128.0 μM

Specifications

Synonyme

2,9,10-trimethoxyberbin-3-ol | Tetrahydrojateorrhizine | (invertedexclamationmarkA)-Corypalmine | 2,9,10-Trimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-3-ol # | PSI 5004 | B0005-129029 | dl-Tetrahydrojatrorrhizine | 6H-Dibenzo[a,g]quinoliz

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

Corypalmine ((R)-(+)-Corypalmine), an alkaloid isolated from Stephania cepharantha, is an inhibitor of prolyl endopeptidase/oligopeptidase (PREP/POP) with IC50 of 128.0 μM.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Produkteigenschaften

• ALogP: 3.374
• hba_count: 3
• HBD-Zahl: 1
• Rotationsfähige Bindung: 3

Namen und Kennungen

• Pubchem Sid: 528763942
• Kanonisches Lächeln: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)O)OC)C=C1)OC
• IUPAC Name: 2,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol
• InChIKey: BMCZTYDZHNTKPR-UHFFFAOYSA-N
• INCHI: 1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3
• Isomere SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)O)OC)C=C1)OC
• Molekulargewicht: 341.4
• Reaxy-Rn: 96003
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=96003&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Klasse: 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 Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Protoberberine skeleton - Tetrahydroprotoberberine skeleton - Tetrahydroisoquinoline - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• DMSO (mg/ml) Maximale Löslichkeit: 40
• DMSO (mM) Maximale Löslichkeit: 117.164616285882
• Wasser (mg/ml) Maximale Löslichkeit: -1
• Molekulargewicht: 341.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 341.163 Da
• Monoisotopic Mass: 341.163 Da
• Topological Polar Surface Area: 51.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 461.000
• 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