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Basic Description
| Synonyms | (phenidone)1-Phenyl-pyrazolidin-3-one | BDBM50009004 | CCG-207926 | SCHEMBL9670254 | WLN: T5NMVTJ AR | AKOS003264132 | NCGC00260423-01 | HMS1491L17 | HY-W010144 | STK084358 | 1-phenyl pyrazolidine-3-one | 1-Phenyl-pyrazolidin-3-one | 1-phenylpyrazolidin-3 |
|---|---|
| Specifications & Purity | ≥98.5% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Pyrazolidinones Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Pyrazolidinone - Pyrazolidine - Carboxylic acid hydrazide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
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Associated Targets(Human)
ALOX12
Tchem
Arachidonate 12-lipoxygenase, 12S-type (2 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
ALOX5
Tclin
Arachidonate 5-lipoxygenase (2 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
ALOX15
Tchem
Arachidonate 15-lipoxygenase (2 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
ALOX5
Tclin
Arachidonate 5-lipoxygenase (6568 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
VDR
Tclin
Vitamin D receptor (26531 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PLA2G2A
Tchem
Phospholipase A2 group IIA (1079 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ALOX12
Tchem
Arachidonate 12-lipoxygenase (3262 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ALOX15
Tchem
Arachidonate 15-lipoxygenase (7108 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Homo sapiens (32628 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
G6PD
Tchem
Glucose-6-phosphate 1-dehydrogenase (778 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TDP1
Tchem
Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
RGS4
Tchem
Regulator of G-protein signaling 4 (13867 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
RAPGEF4
Tchem
Rap guanine nucleotide exchange factor 4 (11476 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PRKD3
Tchem
Protein kinase C (PKC) (1010 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PTGS2
Tclin
Cyclooxygenase (1258 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
RACGAP1
Tbio
Rac GTPase-activating protein 1 (2057 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
PLA2G1B
Phospholipase A2 group 1B (227 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Cavia porcellus (23802 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Bos taurus (956 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mus musculus (284745 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Rattus norvegicus (775804 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
rep
Replicase polyprotein 1ab (378 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
G6PD-6PGL
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (1761 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
vpr
Aberrant vpr protein (14595 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488180278 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180278 |
| IUPAC Name | 1-phenylpyrazolidin-3-one |
| INCHI | InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12) |
| InChIKey | CMCWWLVWPDLCRM-UHFFFAOYSA-N |
| Smiles | C1CN(NC1=O)C2=CC=CC=C2 |
| Isomeric SMILES | C1CN(NC1=O)C2=CC=CC=C2 |
| WGK Germany | 2 |
| RTECS | UQ8750000 |
| UN Number | 2811 |
| Packing Group | III |
| Molecular Weight | 162.19 |
| Beilstein | 131856 |
| Reaxy-Rn | 131856 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=131856&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2118103 |
Certificate of Analysis | Dec 18, 2024 | P113217 |
| A2306896 |
Certificate of Analysis | Dec 03, 2022 | P113217 |
| A2306983 |
Certificate of Analysis | Dec 03, 2022 | P113217 |
| A2306898 |
Certificate of Analysis | Dec 03, 2022 | P113217 |
| A23061002 |
Certificate of Analysis | Dec 03, 2022 | P113217 |
| A23061003 |
Certificate of Analysis | Dec 03, 2022 | P113217 |
| A2306853 |
Certificate of Analysis | Dec 03, 2022 | P113217 |
| D2509078 |
Certificate of Analysis | Dec 03, 2022 | P113217 |
| A2306876 |
Certificate of Analysis | Dec 03, 2022 | P113217 |
| J1816052 |
Certificate of Analysis | Aug 05, 2022 | P113217 |
| B2212023 |
Certificate of Analysis | Feb 16, 2022 | P113217 |
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Chemical and Physical Properties
| Sensitivity | Light Sensitive,Air Sensitive |
|---|---|
| Melt Point(°C) | 119-123°C |
| Molecular Weight | 162.190 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 162.079 Da |
| Monoisotopic Mass | 162.079 Da |
| Topological Polar Surface Area | 32.299 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 175.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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