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

CAS: 27313-86-6 Cat. No.: C422963 Molecular Weight: 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

Overview

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

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

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

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

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Product Properties

• ALogP: 3.374
• hba_count: 3
• HBD Count: 1
• Rotatable Bond: 3

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)O)OC)C=C1)OC
• Molecular Weight: 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
    • 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 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
• 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: 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

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 40
• DMSO(mM) Max Solubility: 117.164616285882
• Water(mg / mL) Max Solubility: -1
• Molecular Weight: 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