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13-Methylberberine chloride - ≥99% , CAS No.54260-72-9

CAS: 54260-72-9 Cat. No.: M651143 Molecular Weight: 385.84 PubChem CID: 148670
COA
13-Methylberberine chloride - ≥99% CAS No(54260-72-9) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
16,17-dimethoxy-21-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;chloride | 13-Methylberberine | NSC299531 | NSC-299531 | AKOS037515271 | Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydr
Storage
Protected from light,Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
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Status
Price
Qty
1mg
M651143-1mg
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$43.90
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5mg
M651143-5mg
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$158.90
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10mg
M651143-10mg
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$156.90

$235.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
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

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -20°C,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Overview

13-Methylberberine chloride (13-Methylberberinium chloride), a berberine analogue, has anti-adipogenic and antitumor activities. 13-Methylberberine chloride (13-Methylberberinium chloride) increases production of IL-12 and inhibits the expression of iNOS at posttranscriptional level in macrophages activated with LPS .

Form:Solid

Specifications

Synonyms
16, 17-dimethoxy-21-methyl-5, 7-dioxa-13-azoniapentacyclo[11.8.0.02, 10.04, 8.015, 20]henicosa-1(13), 2, 4(8), 9, 14, 16, 18, 20-octaene;chloride | 13-Methylberberine | NSC299531 | NSC-299531 | AKOS037515271 | Benzo(g)-1, 3-benzodioxolo(5, 6-a)quinolizinium, 5, 6-dihydr
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
13-Methylberberine chloride (13-Methylberberinium chloride), a berberine analogue, has anti-adipogenic and antitumor activities. 13-Methylberberine chloride (13-Methylberberinium chloride) increases production of IL-12 and inhibits the expression of iNOS
Storage
Protected from light, Store at -20°C, Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ACTIVATOR
Purity
≥99%
Names and Identifiers
Canonical SmilesCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC5=C(C=C4CC3)OCO5)OC)OC.[Cl-]
IUPAC Name16,17-dimethoxy-21-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;chloride
InChIKeyMLEFNGNLISNJEQ-UHFFFAOYSA-M
INCHI1S/C21H20NO4.ClH/c1-12-14-4-5-17(23-2)21(24-3)16(14)10-22-7-6-13-8-18-19(26-11-25-18)9-15(13)20(12)22;/h4-5,8-10H,6-7,11H2,1-3H3;1H/q+1;/p-1
Isomeric SMILES CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC5=C(C=C4CC3)OCO5)OC)OC.[Cl-]
Alternate CAS 54260-72-9
PubChem CID 148670
NSC Number 299531
Molecular Weight 385.84

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.

Look up COA →

📊 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

KingdomOrganic compounds
SuperclassAlkaloids and derivatives
ClassProtoberberine alkaloids and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentProtoberberine alkaloids and derivatives
Alternative Parents Isoquinolines and derivatives  Benzodioxoles  Anisoles  Methylpyridines  Alkyl aryl ethers  Pyridinium derivatives  Heteroaromatic compounds  Oxacyclic compounds  Azacyclic compounds  Acetals  Organopnictogen compounds  Organonitrogen compounds  Organic chloride salts  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Protoberberine skeleton - Isoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Methylpyridine - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Organoheterocyclic compound - Acetal - Ether - Azacycle - Oxacycle - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic chloride salt - Aromatic heteropolycyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Phytophthora infestans (820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ustilago maydis (75 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Parastagonospora nodorum (325 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Puccinia recondita (281 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lemna minor (73 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pyricularia oryzae (1832 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rhizoctonia solani (2251 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zymoseptoria tritici (367 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Agrostis stolonifera var. palustris (53 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 20 mg/mL (51.83 mM; ultrasonic and warming and heat to 60°C)
Molecular Weight385.800 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass385.108 Da
Monoisotopic Mass385.108 Da
Topological Polar Surface Area40.800 Ų
Heavy Atom Count27
Formal Charge0
Complexity516.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
Reviews

Customer Reviews

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