Coralyne chloride - ≥98.0% , CAS No.38989-38-7

Name: Coralyne chloride - ≥98.0% , CAS No.38989-38-7
Brand: Aladdin Scientific
SKU: C649983
Availability: InStock

CAS: 38989-38-7 Cat. No.: C649983 Molecular Weight: 399.87 EC Number: 254-239-2 PubChem CID: 23306

COA

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Coralyne chloride - ≥98.0% CAS No(38989-38-7) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98.0%

Synonyms

?NSC-154890 | NSC96349 | NSC-96349 | Dibenzo(a,g)quinolizinium, 2,3,10,11-tetramethoxy-8-methyl-, chloride | Coralyne chloride | NSC154891 | NSC-154891 | NCGC00094866-01 | SR-05000002641-1 | DTXSID50959832 | BERBINIUM, 5,6,7,8,13,13a-HEXADEHYDRO-2,3,10,11

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥98.0% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Argon charged,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Coralyne chloride is a protoberberine alkaloid with potent anti-cancer activities. Coralyne chloride acts as a potent topoisomerase I poison and induces Top I mediated DNA cleavage Coralyne chloride can be used for preparing coralyne derivatives as DNA binding fluorescent probes

In Vitro

Coralyne (6.25-100 μM; 24-72 hours) has cytotoxicity effect on breast cancer cell lines. It against MCF-7, MDA-MB-231 and MCF-10A cells with IC 50 s of 76.4 uM, 76.4 uM, and 99 uM,respectively at 24 hours. And it against MCF-7, MDA-MB-231 and MCF-10A cells with IC 50 s of 21.9 uM, 19.1 uM, and 91 μM, respectively at 72 hours. Coralyne (25 μM; 48 hours) significantly downregulates cancer cell attachment of MCF-7 and MDA-MB-231 compared to the untreated controls. The percent of reduction in adhesion of MCF-7 is 55%, whereas 53% in reduction in the adhesion of MDA-MB-23 and 62% in reduction of MCF-10A,respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Topoisomerase I

Specifications

Synonyms

?NSC-154890 | NSC96349 | NSC-96349 | Dibenzo(a, g)quinolizinium, 2, 3, 10, 11-tetramethoxy-8-methyl-, chloride | Coralyne chloride | NSC154891 | NSC-154891 | NCGC00094866-01 | SR-05000002641-1 | DTXSID50959832 | BERBINIUM, 5, 6, 7, 8, 13, 13a-HEXADEHYDRO-2, 3, 10, 11

Specifications & Purity

≥98.0%

Biochemical and Physiological Mechanisms

Coralyne chloride is a protoberberine alkaloid with potent anti-cancer activities. Coralyne chloride acts as a potent topoisomerase I poison and induces Top I mediated DNA cleavage. Coralyne chloride can be used for preparingxa0coralyne derivativesxa

Storage

Store at 2-8°C, Argon charged, Desiccated

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥98.0%

Names and Identifiers

Pubchem Sid	528763937
Canonical Smiles	CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.[Cl-]
IUPAC Name	2,3,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium;chloride
InChIKey	PDYBUYVOPAJLKP-UHFFFAOYSA-M
INCHI	1S/C22H22NO4.ClH/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;/h6-12H,1-5H3;1H/q+1;/p-1
Isomeric SMILES	CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.[Cl-]
Alternate CAS	38989-38-7,6872-73-7,38989-38-7 (chloride),6872-73-7 (Parent)
PubChem CID	23306
NSC Number	96349
MeSH Entry Terms	coralyne;coralyne acetosulfate;coralyne chloride;coralyne sulfoacetate;NSC-154890
Molecular Weight	399.87

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoquinolines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isoquinolines and derivatives
Alternative Parents	Anisoles Methylpyridines Alkyl aryl ethers Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinoline - Anisole - Alkyl aryl ether - Methylpyridine - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organic chloride salt - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors	Not available
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

3D Structure

Associated Targets(Human)

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

CASP1 Tchem Caspase-1 (6235 Activities)

Discover Target: CASP1

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

CASP7 Tchem Caspase-7 (3146 Activities)

Discover Target: CASP7

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

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
J2528410	Certificate of Analysis	Aug 21, 2025	C649983
J2528411	Certificate of Analysis	Aug 21, 2025	C649983
J2528412	Certificate of Analysis	Aug 21, 2025	C649983
J2528413	Certificate of Analysis	Aug 21, 2025	C649983

Solubility	H2O : 4 mg/mL (10.00 mM; ultrasonic and warming and heat to 60°C) DMSO : 1.82 mg/mL (4.55 mM; ultrasonic and warming and heat to 60°C)
Sensitivity	Moisture sensitive
Molecular Weight	399.900 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	399.124 Da
Monoisotopic Mass	399.124 Da
Topological Polar Surface Area	41.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	503.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2