Econazolnitrat - ≥98%(HPLC) , CAS No.24169-02-6

Name: Econazolnitrat - ≥98%(HPLC) , CAS No.24169-02-6
Brand: Aladdin Scientific
SKU: E129267
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CAS: 24169-02-6 Cat. No.: E129267 Summenformel: C₁₈H₁₅Cl₃N₂O·HNO₃ Molekulargewicht: 444.7 EG-Nummer: 246-053-5 PubChem CID: 68589

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QUALITÄT & REINHEIT ≥98%(HPLC)

Synonyms

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Spezifikationen Namen und Kennungen Dokumentation Erweiterte Daten Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Citations of This Product Lösungsrechner Bewertungen

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Warum diese Qualität

≥98%(HPLC) für empfindliche chromatographische und analytische Workflows, die minimale Basislinieninterferenzen erfordern.

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Room temperature Versand Normal. Genaue Spezifikationen finden Sie im chargenspezifischen COA.

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SDS, COA, Datenblatt und Spezifikationsblatt stehen zum Download bereit. Chargenspezifische COA über Chargennummernsuche abrufbar.

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Literaturbeleg

In 1 peer-reviewten Publikationen zu Chromatographie, organischer Synthese und Kreuzkupplungsreaktionen zitiert.

Spezifikationen

Synonyme

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Imidazol-Antimykotikum. Hemmt den Ca 2+-Einwärtsstrom. Erhöht den Gehalt an parasitären ROS. Zeigt antimykotische und antiparasitäre Wirkungen (IC 50 = 11 μM, Leishmania intrazelluläre Amastigoten) in vivo.

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Room temperature

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Aktionsart

INHIBITOR

Hinweis

Wenn möglich, sollten Sie die Lösungen noch am selben Tag zubereiten und verwenden. Wenn Sie jedoch Stammlösungen im Voraus herstellen müssen, empfehlen wir Ihnen, die Lösung als Aliquote in dicht verschlossenen Fläschchen bei -20 °C zu lagern. Diese sind in der Regel bis zu einem Monat haltbar. Vor der Verwendung und vor dem Öffnen des Fläschchens empfehlen wir, das Produkt mindestens 1 Stunde lang auf Raumtemperatur kommen zu lassen. Benötigen Sie weitere Ratschläge zur Löslichkeit, Verwendung und Handhabung? Besuchen Sie unsere Seite mit den häufig gestellten Fragen (FAQ) für weitere Informationen.

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

488184175

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184175

Kanonisches Lächeln

C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

IUPAC Name

1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid

InChIKey

DDXORDQKGIZAME-UHFFFAOYSA-N

INCHI

1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)

Isomere SMILES

C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

WGK Deutschland

RTECS

NI4450000

PubChem CID

68589

Molekulargewicht

444.7

Dokumentation

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Erweiterte Daten

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Klasse Benzene and substituted derivatives
    - Subclass Benzylethers

Kingdom	Organic compounds
Superclass	Benzenoids
Klasse	Benzene and substituted derivatives
Subclass	Benzylethers
Intermediate Tree Nodes	Not available
Direct Parent	Benzylethers
Alternative Parents	Dichlorobenzenes N-substituted imidazoles Aryl chlorides Organic nitrates Heteroaromatic compounds Organic nitro compounds Organic nitric acids Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzylether - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Organic nitrate - Organic nitro compound - Organic nitric acid - Organic nitric acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Ether - Azacycle - Dialkyl ether - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
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-Struktur

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CYP1A2 Tchem Cytochrome P450 1A2 (0 Activities)

Discover Target: CYP1A2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2D6 Tclin Cytochrome P450 2D6 (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2C19 Tchem Cytochrome P450 2C19 (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP3A4 Tclin Cytochrome P450 3A4 (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2C9 Tchem Cytochrome P450 2C9 (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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

AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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NPY2R Tchem Neuropeptide Y receptor type 2 (3731 Activities)

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AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

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GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

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

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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

A498 (42825 Activities)

Lot Number	Certificate Type	Datum	Artikel
D2310396	Certificate of Analysis	Sep 22, 2026	E129267
K2429274	Certificate of Analysis	Sep 02, 2026	E129267
K2429279	Certificate of Analysis	Sep 02, 2026	E129267
G1502205	Certificate of Analysis	Jul 07, 2026	E129267
G2308091	Certificate of Analysis	Apr 09, 2025	E129267
G2308085	Certificate of Analysis	Apr 09, 2025	E129267
I2127156	Certificate of Analysis	Apr 03, 2025	E129267
I2127157	Certificate of Analysis	Apr 03, 2025	E129267
I2127158	Certificate of Analysis	Apr 03, 2025	E129267
G2022156	Certificate of Analysis	Mar 05, 2024	E129267

Löslichkeit	DMSO 89 mg/mL Water Ethanol 5 mg/mL
Schmelzpunkt (°C)	158-163°
Molekulargewicht	444.700 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	443.021 Da
Monoisotopic Mass	443.021 Da
Topological Polar Surface Area	93.100 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	404.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Econazolnitrat - ≥98%(HPLC) , CAS No.24169-02-6

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