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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
Information
BAY 2402234 BAY 2402234 is a novel and selective dihydroorotate dehydrogenase (DHODH) inhibitor with an IC50 of 1.2 nM.
Targets
DHODH (Cell-free assay) 1.2 nM
In vitro
BAY 2402234 induces differentiation and inhibits proliferation in AML cell lines across multiple AML subtypes.
In vivo
BAY 2402234 shows strong monotherapy efficacy and induces differentiation in AML xenograft models in vivo.
Cell Research(from reference)
Cell lines:MOLM-13, HEL, MV4-11, SKM-1 and THP-1 cell lines
Concentrations:0.1nM to 1μM
Incubation Time:96 h
| ALogP | 4.103 |
|---|---|
| hba_count | 4 |
| Recuento HBD | 2 |
| Enlace rotable | 8 |
| Sonrisas canónicas | CCN1C(=NN(C1=O)C2=C(C=C(C(=C2)OC(C)C(F)(F)F)C(=O)NC3=C(C=CC=C3Cl)F)F)CO |
|---|---|
| IUPAC Name | N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide |
| InChIKey | KNVJMHHAXCPZHF-JTQLQIEISA-N |
| INCHI | 1S/C21H18ClF5N4O4/c1-3-30-17(9-32)29-31(20(30)34)15-8-16(35-10(2)21(25,26)27)11(7-14(15)24)19(33)28-18-12(22)5-4-6-13(18)23/h4-8,10,32H,3,9H2,1-2H3,(H,28,33)/t10-/m0/s1 |
| Isómeros SMILES | CCN1C(=NN(C1=O)C2=C(C=C(C(=C2)O[C@@H](C)C(F)(F)F)C(=O)NC3=C(C=CC=C3Cl)F)F)CO |
| Peso molecular | 520.84 |
| Reaxy-Rn | 37174574 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37174574&ln= |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | Phenyl-1,2,4-triazoles 3-halobenzoic acids and derivatives Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Fluorobenzenes Chlorobenzenes Alkyl aryl ethers Aryl fluorides Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzanilide - Phenyl-1,2,4-triazole - Phenyltriazole - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Phenol ether - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Alkyl aryl ether - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - 1,2,4-triazole - Triazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
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| DMSO (mg/ml) Solubilidad máxima | 100 |
|---|---|
| DMSO (mM) Solubilidad máxima | 191.997542431457 |
| Agua (mg/ml) Solubilidad máxima | <1 |
| Peso molecular | 520.799 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 520.094 Da |
| Monoisotopic Mass | 520.094 Da |
| Topological Polar Surface Area | 94.500 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 819.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
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