BAY 2402234 - Moligand™, 10mM in DMSO , Inhibitor of dihydroorotate dehydrogenase (quinone), CAS No.2225819-06-5, Inhibitor of dihydroorotate dehydrogenase (quinone)

CAS: 2225819-06-5 Cat. No.: B422666 Molecular Weight: 520.84
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
Synonyms
AKOS040741291 | s8847 | N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide | Orludodstat | N-(2-Chloro-6-fluorophenyl)-4-(4-ethyl-4,5-dihydro-3-(hydr
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Status
Price
Qty
1ml
B422666-1ml
2

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Why this grade

Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

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 

Specifications

Synonyms
AKOS040741291 | s8847 | N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-4, 5-dihydro-1H-1, 2, 4-triazol-1-yl]-5-fluoro-2-{[(2S)-1, 1, 1-trifluoropropan-2-yl]oxy}benzamide | Orludodstat | N-(2-Chloro-6-fluorophenyl)-4-(4-ethyl-4, 5-dihydro-3-(hydr
Specifications & Purity
Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms
BAY 2402234 is a novel and selective dihydroorotate dehydrogenase (DHODH) inhibitor with an IC50 of 1.2\u2009nM.
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of dihydroorotate dehydrogenase (quinone)
Product Properties
ALogP4.103
hba_count4
HBD Count2
Rotatable Bond8
Names and Identifiers
Canonical SmilesCCN1C(=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 NameN-(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
InChIKeyKNVJMHHAXCPZHF-JTQLQIEISA-N
INCHI1S/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
Isomeric 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
Molecular Weight 520.84
Reaxy-Rn 37174574
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37174574&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Aromatic anilides
Direct ParentBenzanilides
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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
DHODH Tclin Dihydroorotate dehydrogenase (quinone), mitochondrial (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Raji (5516 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THP-1 (11052 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-937 (7138 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Jurkat (10389 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility100
DMSO(mM) Max Solubility191.997542431457
Water(mg / mL) Max Solubility<1
Molecular Weight520.799 g/mol
XLogP34.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass520.094 Da
Monoisotopic Mass520.094 Da
Topological Polar Surface Area94.500 Ų
Heavy Atom Count35
Formal Charge0
Complexity819.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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