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BAY 2402234 - 99%, high purity , CAS No.2225819-06-5, Inhibitor of dihydroorotate dehydrogenase (quinone)

Moligand™

≥99%

CAS#: 2225819-06-5
Formula: C₂₁H₁₈ClF₅N₄O₄
Molecular Weight: 520.84
PubChem CID: 134470179

Item Number

B414218

Grouped product items
SKU	Size	Availability	Price
B414218-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$464.90
B414218-25mg	25mg	In stock	$1,385.90
B414218-100mg	100mg	In stock	$3,563.90

Dehydrogenase Inhibitors

View related series

Cell Cycle/DNA Damage Dihydroorotate Dehydrogenase dihydroorotate dehydrogenase (quinone) Inhibitor DNA/RNA Synthesis Metabolic Enzyme/Protease

Basic Description

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™, ≥99%
Biochemical and Physiological Mechanisms	BAY 2402234 is a novel and selective dihydroorotate dehydrogenase (DHODH) inhibitor with an IC50 of 1.2\u2009nM.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of dihydroorotate dehydrogenase (quinone)
Product Description	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

Product Properties

ALogP	4.103
HBD Count	2
Rotatable Bond	8

Associated Targets(Human)

DHODH Tclin Dihydroorotate dehydrogenase (quinone), mitochondrial (0 Activities)

Discover Target: DHODH

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)

Discover Target: DHODH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Raji (5516 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THP-1 (11052 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

U-937 (7138 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Jurkat (10389 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

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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

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
INCHI	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
InChi Key	KNVJMHHAXCPZHF-JTQLQIEISA-N
Canonical SMILES	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
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
PubChem CID	134470179
Molecular Weight	520.84

Database links

PubChem CID	134470179
CAS Registry No.	2225819-06-5
BindingDB Ligand	470454
RCSB PDB Ligand	JJE

Certificates

Certificate of Analysis(COA)

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Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
H2213130	Certificate of Analysis	Jun 17, 2022	B414218
H2213131	Certificate of Analysis	Jun 17, 2022	B414218

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 100 mg/mL (191.99 mM); Ethanol: 33 mg/mL (63.35 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility	100
DMSO(mM) Max Solubility	191.997542431457
Water(mg / mL) Max Solubility	＜1

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.

References

1. Wu D, Wang W, Chen W, Lian F, Lang L, Huang Y, Xu Y, Zhang N, Chen Y, Liu M et al.. (2018) Pharmacological inhibition of dihydroorotate dehydrogenase induces apoptosis and differentiation in acute myeloid leukemia cells.. Haematologica, 103 (9): (1472-1483). [PMID:29880605] [10.1021/op500134e]
2. Sykes DB. (2018) The emergence of dihydroorotate dehydrogenase (DHODH) as a therapeutic target in acute myeloid leukemia.. Expert Opin Ther Targets, 22 (11): (893-898). [PMID:30318938] [10.1021/op500134e]
3. Christian S, Merz C, Evans L, Gradl S, Seidel H, Friberg A, Eheim A, Lejeune P, Brzezinka K, Zimmermann K et al.. (2019) The novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies.. Leukemia, 33 (10): (2403-2415). [PMID:30940908] [10.1021/op500134e]

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BAY 2402234 - 99%, high purity , CAS No.2225819-06-5, Inhibitor of dihydroorotate dehydrogenase (quinone)

Basic Description

Product Properties

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Chemical and Physical Properties

Safety and Hazards(GHS)

Related Documents

References

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator