≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
EST64454 hydrochloride is a selective and orally active sigma-1 receptor antagonist with a K i of 22 nM. EST64454 hydrochloride has the potential for the research of the pain.
In Vivo
EST64454 (10 mg/kg; p.o.; male Wistar rats) treatment shows the C max , t 1/2 , AUC 0-∞ , V ss and F% are 771 ng/mL, 3.4 hours, 1431 ng h/mL, 4.4 l/kg and 69%, respectively . EST64454 (10 mg/kg; p.o.; male CD1 mice) treatment shows the C max , t 1/2 , AUC 0-∞ , V ss and F% were 1178 ng/mL, <1 hours, 2645 ng h/mL, 1.2 l/kg and 60%, respectively . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Wistar rats (250-300 g) Dosage: 10 mg/kg Administration: P.o. (Pharmacokinetic Analysis) Result: The C max , t 1/2 , AUC 0-∞ , V ss and F% were 771 ng/mL, 3.4 hours, 1431 ng h/mL, 4.4 l/kg and 69%, respectively.
Form:Solid
| Kanonisches Lächeln | CC(=O)N1CCN(CC1)CCOCC2=NN(C=C2)C3=CC(=C(C=C3)F)F.Cl |
|---|---|
| IUPAC Name | 1-[4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]piperazin-1-yl]ethanone;hydrochloride |
| InChIKey | YJZGDOPAALDWAT-UHFFFAOYSA-N |
| INCHI | 1S/C18H22F2N4O2.ClH/c1-14(25)23-8-6-22(7-9-23)10-11-26-13-15-4-5-24(21-15)16-2-3-17(19)18(20)12-16;/h2-5,12H,6-11,13H2,1H3;1H |
| Isomere SMILES | CC(=O)N1CCN(CC1)CCOCC2=NN(C=C2)C3=CC(=C(C=C3)F)F.Cl |
| PubChem CID | 121418768 |
| MeSH-Eintrag | 1-(4-(2-((1-(3,4-difluorophenyl)-1H-pyrazol-3-yl)methoxy)ethyl)piperazin-1-yl)ethanone;EST64454 |
| Molekulargewicht | 400.85 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Klasse | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | N-alkylpiperazines Fluorobenzenes Tertiary carboxylic acid amides Heteroaromatic compounds Acetamides Trialkylamines Amino acids and derivatives Vinyl fluorides Hydrazones Fluoroalkenes Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - N-alkylpiperazine - Halobenzene - Fluorobenzene - Benzenoid - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Acetamide - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Fluoroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Hydrazone - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Löslichkeit | H2O : ≥ 100 mg/mL (249.47 mM) DMSO : 100 mg/mL (249.47 mM; Need ultrasonic) |
|---|
