Trigonelline - Moligand™,≥98% , CAS No.535-83-1

CAS: 535-83-1 Cat. No.: T345622 Peso molecular: 137.14 Número EC: 208-620-5 PubChem CID: 5570
Disponible para pedir
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
1-Methylpyridinio-3-carboxylate | AS-17722 | N-Methylnicotinate | N-methyl-nicotinate | TRIGONELLINE (CONSTITUENT OF FENUGREEK SEED) [DSC] | Caffearin | HY-N0414 | 3-Carboxy-1-methylpyridinium hydroxide inner salt | 3-carboxy-1-methyl-Pyridinium hydroxide
Storage
Store at 2-8°C,Protected from light
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
T345622-5mg
2

11,90US$

17,90US$
Guardar 6,00 US$ (33.52%)
25mg
T345622-25mg
4

44,90US$

67,90US$
Guardar 23,00 US$ (33.87%)
100mg
T345622-100mg
2
163,90US$
500mg
T345622-500mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
499,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light Ships Wet ice 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Trigonelline is an alkaloid with potential antidiabetic activity that can be isolated from Trigonella foenum-graecum L or Leonurus artemisia. Trigonelline is a potent Nrf2 inhibitor that blocks Nrf2-dependent proteasome activity, thereby enhancing apoptosis in pancreatic cancer cells. Trigonelline also has anti-HSV-1, antibacterial, and antifungal activity and induces ferroptosis.

Specifications

Sinónimos
1-Methylpyridinio-3-carboxylate | AS-17722 | N-Methylnicotinate | N-methyl-nicotinate | TRIGONELLINE (CONSTITUENT OF FENUGREEK SEED) [DSC] | Caffearin | HY-N0414 | 3-Carboxy-1-methylpyridinium hydroxide inner salt | 3-carboxy-1-methyl-Pyridinium hydroxide
Especificaciones y pureza
Moligand™, ≥98%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Protected from light
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Pureza
≥98%
Nombres e identificadores
Pubchem Sid488179910
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488179910
Sonrisas canónicasC[N+]1=CC=CC(=C1)C(=O)[O-]
IUPAC Name1-methylpyridin-1-ium-3-carboxylate
InChIKeyWWNNZCOKKKDOPX-UHFFFAOYSA-N
INCHI1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
Isómeros SMILES C[N+]1=CC=CC(=C1)C(=O)[O-]
PubChem CID 5570
Peso molecular 137.14

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
ClaseNot available
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAlkaloids and derivatives
Alternative Parents Pyridinecarboxylic acids  N-methylpyridinium compounds  Pyridinium derivatives  Vinylogous amides  Heteroaromatic compounds  Carboxylic acid salts  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic salts  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyridine carboxylic acid - Alkaloid or derivatives - Pyridine carboxylic acid or derivatives - N-methylpyridinium - Pyridinium - Pyridine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.
External Descriptors a small molecule
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-N-SH (1499 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

18 results found

Lot NumberCertificate TypeFechaArticulo
C2627523Certificate of AnalysisMar 03, 2026 T345622
C2627504Certificate of AnalysisMar 03, 2026 T345622
C2627499Certificate of AnalysisMar 03, 2026 T345622
C2627498Certificate of AnalysisMar 03, 2026 T345622
K2228812Certificate of AnalysisSep 16, 2025 T345622
K2228804Certificate of AnalysisSep 16, 2025 T345622
K2228805Certificate of AnalysisSep 08, 2025 T345622
C2512753Certificate of AnalysisMar 01, 2025 T345622
C2512754Certificate of AnalysisMar 01, 2025 T345622
C2512752Certificate of AnalysisMar 01, 2025 T345622
B2624252Certificate of AnalysisMar 01, 2025 T345622
D2426293Certificate of AnalysisApr 18, 2024 T345622
D2426294Certificate of AnalysisApr 18, 2024 T345622
D2426296Certificate of AnalysisApr 18, 2024 T345622
C2405729Certificate of AnalysisFeb 04, 2024 T345622
C2405728Certificate of AnalysisFeb 04, 2024 T345622
C2405726Certificate of AnalysisFeb 04, 2024 T345622
K2228800Certificate of AnalysisSep 24, 2022 T345622

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Propiedades químicas y físicas
SensibilidadLight sensitive
Punto de fusión (°C)214-220° C
Peso molecular137.140 g/mol
XLogP31.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass137.048 Da
Monoisotopic Mass137.048 Da
Topological Polar Surface Area44.000 Ų
Heavy Atom Count10
Formal Charge0
Complexity130.000
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 Count1
Citations of This Product
Referencias
1. Dongsheng Hu, Xiaogang Liu, Yuyue Qin, Jiatong Yan, Rongmei Li, Qiliang Yang.  (2023)  The impact of different drying methods on the physical properties, bioactive components, antioxidant capacity, volatile components and industrial application of coffee peel.  Food Chemistry-X,      [PMID:37780243] [10.1016/j.fochx.2023.100807]
2. Wei Jia, Xin Wang.  (2023)  3-Chloropropane-1,2-diol exposure adversely influenced the bio-accessibility signatures of digested infant foods by suppressing the destabilization of α-lactalbumin and d-aspartate oxidase in a dose-dependent manner.  FOOD CHEMISTRY,      [PMID:37385056] [10.1016/j.foodchem.2023.136729]
3. SunHongzheng , HanLongsen , GuoYueshuai , AnHuiqing , WangBing , ZhangXiangzheng , LiJiashuo , JiangYingtong , WangYue , SunGuangyi , ZhuShuai , TangShoubin , GeJuan , ChenMinjian , GuoXuejiang , WangQiang.  (2024)  The global phosphorylation landscape of mouse oocytes during meiotic maturation.  EMBO JOURNAL,      [PMID:39256562] [10.1038/s44318-024-00222-1]
4. Dongsheng Hu, Gaoji Yang, Xiaogang Liu, Yuyue Qin, Fujie Zhang, Zhiqing Sun, Xinle Wang.  (2024)  Comparison of different drying technologies for coffee pulp tea: Changes in color, taste, bioactive and aroma components.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2024.116193]
5. Chong Gao, Wei Liu, Sai-Hu Liu, Shuang Zheng, Chen-Yu Wang, Xu Dai, Li-Hua Lian, Zhen-Yu Cui, Ji-Xing Nan, Yan-Ling Wu.  (2026)  Trigonelline regulates glycolysis and energy metabolism during hepatic fibrosis via Glut-1-HIF-1α axis: Focusing the interaction of macrophages and HSCs.  PHYTOMEDICINE,      [PMID:41579590] [10.1016/j.phymed.2026.157854]
Calculadoras de soluciones
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