Prunetin - Moligand™, ≥98% , Inhibitor of aldehyde dehydrogenase 2 family member, CAS No.552-59-0, Inhibitor of aldehyde dehydrogenase 2 family member

CAS: 552-59-0 Cat. No.: P355116 Peso molecular: 284.26 Número EC: 209-018-5 PubChem CID: 5281804
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
5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one | SCHEMBL73420 | Oprea1_083784 | Prunetin | Prunetin, >=98.0% (TLC) | 4',5-dihydroxy-7-methoxyisoflavone | PRUNETIN [MI] | BCP09998 | BIDD:ER0153 | KBio2_006643 | BDBM50359990 | CHEBI:8600 | GTPL691
Storage
Room temperature,Desiccated
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
P355116-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
179,90US$
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Why this grade

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

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Storage & shipping

Room temperature,Desiccated Ships Normal 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one | SCHEMBL73420 | Oprea1_083784 | Prunetin | Prunetin, >=98.0% (TLC) | 4', 5-dihydroxy-7-methoxyisoflavone | PRUNETIN [MI] | BCP09998 | BIDD:ER0153 | KBio2_006643 | BDBM50359990 | CHEBI:8600 | GTPL691
Especificaciones y pureza
Moligand™, ≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature, Desiccated
Enviado en
Normal
Grado
Moligand™
Tipo de acción
INHIBITOR
Mecanismo de acción
Inhibitor of aldehyde dehydrogenase 2 family member
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasCOC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O
IUPAC Name5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one
InChIKeyKQMVAGISDHMXJJ-UHFFFAOYSA-N
INCHI1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
Isómeros SMILES COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O
PubChem CID 5281804
Peso molecular 284.26

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
SuperclassPhenylpropanoids and polyketides
ClaseIsoflavonoids
SubclassO-methylated isoflavonoids
Intermediate Tree Nodes 7-O-methylated isoflavonoids
Direct Parent7-O-methylisoflavones
Alternative Parents Isoflavones  Hydroxyisoflavonoids  Chromones  Anisoles  Pyranones and derivatives  Alkyl aryl ethers  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Benzene and substituted derivatives  Vinylogous acids  Heteroaromatic compounds  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 7-o-methylisoflavone - Hydroxyisoflavonoid - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Organoheterocyclic compound - Ether - Oxacycle - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone.
External Descriptors a small molecule
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ALDH2 Tclin Aldehyde dehydrogenase, mitochondrial (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH2 Tclin Aldehyde dehydrogenase (509 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PGR Tclin Progesterone receptor (8562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TOP2A Tclin DNA topoisomerase II alpha (6317 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AKR1B1 Tclin Aldose reductase (1404 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SGC-7901 (2773 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Nos2 Nitric oxide synthase, inducible (3573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 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
Aspergillus niger (16508 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma brucei brucei (13300 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania donovani (89745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAW264.7 (28094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Vero (26788 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
C2C12 (756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 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:
Propiedades químicas y físicas
Peso molecular284.260 g/mol
XLogP33.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass284.068 Da
Monoisotopic Mass284.068 Da
Topological Polar Surface Area76.000 Ų
Heavy Atom Count21
Formal Charge0
Complexity424.000
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. Jing Wu, Jiali Chen, Xijing Yu, Yujuan You.  (2023)  The potential pharmacological mechanism of prunetin against osteoporosis: transcriptome analysis, molecular docking, and experimental approaches.  TOXICOLOGY MECHANISMS AND METHODS,      [PMID:37642288] [10.1080/15376516.2023.2253305]
Calculadoras de soluciones
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