Ácido isoclorogénico B - estándar analítico, ≥98% , Channel blocker of TRPV3, CAS No.14534-61-3, Channel blocker of TRPV3

CAS: 14534-61-3 Cat. No.: I111373 Peso molecular: 516.46 Número EC: 874-682-0
Disponible para pedir
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%
Synonyms
CHEBI:5995 | Ácido 4,5-Dicafeoylquínico | 4,5-Dicqa | Ácido isoclorogénico b | UNII-45777W94HK | Ácido (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihidroxifenil)prop-2-enoyoil]oxi]-1,5-dihidroxiciclohexano-1-carboxílico | Ácido 3,4-Di-O-Caffeoylquínico
Storage
Conservar a 2-8°C
Shipped In
Hielo húmedo
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
I111373-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
121,90US$
20mg
I111373-20mg
1
372,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

estándar analítico, ≥98% Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Conservar a 2-8°C Ships Hielo húmedo 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.

📚

Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

el ácido 3,4-Di-O-cafeoilquínico (3,4-COQ) es un componente de la hierba medicinal Youngia japonica.Tiene una fracción de cafeoilo unida a un ácido quínico hexacíclico en su estructura.


Aplicación:
el ácido 3,4-Di-O-cafeoilquínico se ha utilizado como patrón de referencia:
para cuantificar los ácidos cafeoilquínicos de Artemisia frigida Willd. (Artemisia frigida) mediante cromatografía líquida de alto rendimiento con detección de matriz de diodos y detección por espectrometría de masas de triple cuadrupolo con ionización por electrospray (HPLC-DAD-ESI-QQQ-MS)
cuantificar los compuestos fenólicos de las especies de Artemisia mediante la técnica de cromatografía líquida de alta resolución con detección por matriz de diodos (HPLC-DAD)
elaboración de perfiles metabólicos de extractos metanólicos de hojas de A. nallamalayana e identificación de ácidos fenólicos mediante cromatografía líquida de alta resolución y análisis ultravioleta (HPLC-UV)

Specifications

Sinónimos
CHEBI:5995 | Ácido 4, 5-Dicafeoylquínico | 4, 5-Dicqa | Ácido isoclorogénico b | UNII-45777W94HK | Ácido (1S, 3R, 4R, 5R)-3, 4-bis[[(E)-3-(3, 4-dihidroxifenil)prop-2-enoyoil]oxi]-1, 5-dihidroxiciclohexano-1-carboxílico | Ácido 3, 4-Di-O-Caffeoylquínico
Especificaciones y pureza
estándar analítico, ≥98%
Condiciones de almacenamiento de almacenamiento
Conservar a 2-8°C
Enviado en
Hielo húmedo
Grado
Analytical standard
Tipo de acción
CHANNEL BLOCKER
Mecanismo de acción
Channel blocker of TRPV3
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasC1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O
IUPAC Name(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
InChIKeyUFCLZKMFXSILNL-PSEXTPKNSA-N
INCHI1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
Isómeros SMILES C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O
CAS alternativo 14534-61-3,32451-88-0,89886-31-7
Términos de entrada MeSH 3,4-di-O-caffeoylquinic acid;3,4-dicaffeoylquinic acid;3,4-DICQA;isochlorogenic acid B;methyl 3,5-di-O-caffeoyl quinate;methyl-3,5-di-O-caffeoylquinate
Peso molecular 516.46
Reaxy-Rn 11340191
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11340191&ln=

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
SuperclassOrganic oxygen compounds
ClaseOrganooxygen compounds
SubclassAlcohols and polyols
Intermediate Tree Nodes Cyclic alcohols and derivatives - Cyclitols and derivatives
Direct ParentQuinic acids and derivatives
Alternative Parents Coumaric acids and derivatives  Cinnamic acid esters  Tricarboxylic acids and derivatives  Styrenes  Catechols  1-hydroxy-2-unsubstituted benzenoids  1-hydroxy-4-unsubstituted benzenoids  Fatty acid esters  Cyclohexanols  Alpha hydroxy acids and derivatives  Tertiary alcohols  Enoate esters  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Quinic acid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Tricarboxylic acid or derivatives - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexanol - Fatty acid ester - Phenol - Fatty acyl - Hydroxy acid - Monocyclic benzene moiety - Alpha-hydroxy acid - Benzenoid - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as quinic acids and derivatives. These are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1.
External Descriptors Caffeate derivatives
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
TRPV3 Tchem Transient receptor potential cation channel subfamily V member 3 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
AKR1B10 Tchem Aldo-keto reductase family 1 member B10 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
AKR1B1 Tclin Aldose reductase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TYR Tclin Tyrosinase (717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AKR1B1 Tclin Aldose reductase (1404 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APP Tclin Amyloid-beta A4 protein (8510 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BACE1 Tchem Beta-secretase 1 (15641 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SH-SY5Y (11521 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Jurkat (10389 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KETR3 (279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AKR1B10 Tchem Aldo-keto reductase family 1 member B10 (300 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma cruzi (99888 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hepatitis B virus (7925 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Human immunodeficiency virus 1 (70413 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Influenza A virus H3N2 (588 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DHODH Dihydroorotate dehydrogenase (fumarate) (195 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
B16-F1 (104 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.

3 results found

Lot NumberCertificate TypeFechaArticulo
H2421545Certificate of AnalysisMay 20, 2026 I111373
D2306265Certificate of AnalysisJan 09, 2025 I111373
H2020048Certificate of AnalysisJun 17, 2022 I111373
Propiedades químicas y físicas
Peso molecular516.400 g/mol
XLogP31.500
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass516.127 Da
Monoisotopic Mass516.127 Da
Topological Polar Surface Area211.000 Ų
Heavy Atom Count37
Formal Charge0
Complexity887.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds2
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Yu-Mei Zhao, Lv-Huan Wang, Si-Fan Luo, Qi-Qin Wang, Ruin Moaddel, Ting-Ting Zhang, Zheng-Jin Jiang.  (2018)  Magnetic beads-based neuraminidase enzyme microreactor as a drug discovery tool for screening inhibitors from compound libraries and fishing ligands from natural products.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30005943] [10.1016/j.chroma.2018.07.031]
2. Ziyu Zhang, Xiaoying Yang, Chang Liu, Xianfa Zeng, Zhigang Yin, Yulong Liu, Jiangli Luo, Ying Zhou.  (2025)  Serum pharmacochemistry profiling combined with molecular docking analysis to reveal the pharmacodynamic material basis of Lonicerae japonicae flos against acute lung injury.  Journal of Functional Foods,      [PMID:] [10.1016/j.jff.2025.106858]
Calculadoras de soluciones
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