≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
PfDHODH-IN-2, a dihydrothiophenone derivative (Compound 11), is a potent Plasmodium falciparum dihydroorotate dehydrogenase ( Pf DHODH) inhibitor with an IC 50 of 1.11 µM. PfDHODH-IN-2 acts as an antimalarial agent and can be used for the research of malaria
In Vitro
Malaria is a global parasitic infectious disease caused by Plasmodium parasites, among which Plasmodium falciparum is the most dangerous one with the highest rates of complications and mortality. PfDHODH-IN-2 shows an overall selectivity for PfDHODH (IC 50 =1.113 µM) over hDHODH (IC 50 >50 µM). PfDHODH-IN-2 demonstrats in vitro potency against the 3D7 and Dd2 strains of P. falciparum with IC 50 values of both >20 µM, respectively in whole cell assays. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IC50: 1.113 µM (PfDHODH) IC50: >50 µM ( hDHODH)
| Sorrisi canonici | CCOC(=O)C1=C(CSC1=NC2=CC=C(C=C2)Cl)O |
|---|---|
| IUPAC Name | ethyl 5-(4-chlorophenyl)imino-3-hydroxy-2H-thiophene-4-carboxylate |
| InChIKey | APZUOZADGNBHOB-UHFFFAOYSA-N |
| INCHI | 1S/C13H12ClNO3S/c1-2-18-13(17)11-10(16)7-19-12(11)15-9-5-3-8(14)4-6-9/h3-6,16H,2,7H2,1H3 |
| Isomeri SMILES | CCOC(=O)C1=C(CSC1=NC2=CC=C(C=C2)Cl)O |
| PubChem CID | 135449276 |
| Peso molecolare | 297.76 |
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 | Benzenoids |
| Classe | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorobenzenes |
| Alternative Parents | Imidothiolactones Aryl chlorides Vinylogous acids Enoate esters Dihydrothiophenes Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Enols Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Chlorobenzene - Imidothiolactone - Aryl halide - Aryl chloride - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 2,5-dihydrothiophene - Carboxylic acid ester - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Enol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety. |
| External Descriptors | Not available |
| 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 |
|---|
| Solubilità | DMSO : 12.5 mg/mL (41.98 mM; Need ultrasonic) |
|---|---|
| Peso molecolare | 297.760 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 297.023 Da |
| Monoisotopic Mass | 297.023 Da |
| Topological Polar Surface Area | 84.200 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 414.000 |
| 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 |
