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BAY-2402234

CAT: 0804-HY-112645-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112645-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAY-2402234 is a selective dihydroorotate dehydrogenase (DHODH) inhibitor for the treatment of myeloid malignancies.
CAS Number
2225819-06-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Dihydroorotate Dehydrogenase; DNA/RNA Synthesis
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/BAY-2402234.html
Purity
99.90
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
FC1=C(NC(C2=CC(F)=C(N3N=C(CO)N(CC)C3=O)C=C2O[C@@H](C)C(F)(F)F)=O)C(Cl)=CC=C1
Molecular Formula
C21H18ClF5N4O4
Molecular Weight
520.84
Precautions
H302, H315, H319, H335
References & Citations
[1]Andreas Janzer, et al. Abstract DDT02-04: BAY 2402234: A novel, selective dihydroorotate dehydrogenase (DHODH) inhibitor for the treatment of myeloid malignancies. AACR Annual Meeting 2018; April 14-18, 2018; Chicago, IL.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

Orludodstat

Orludodstat is a small molecule drug. The usage of the INN stem '-dodstat' in the name indicates that Orludodstat is a dihydro-orotate dehydrogenase (DHODH) inhibitor. Orludodstat is under investigation in clinical trial NCT03404726 (A Study to Investigate BAY2402234, a Dihydroorotate Dehydrogenase (DHODH) Inhibitor, in Myeloid Malignancies). Orludodstat has a monoisotopic molecular weight of 520.09 Da.

CAS Number2225819-06-5
PubChem CID134470179
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
Molecular FormulaC21H18ClF5N4O4
Molecular Weight520.8
XLogP4
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity819
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
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
InChIKey
KNVJMHHAXCPZHF-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of Orludodstat
CAS: 2225819-06-5
CID: 134470179
Formula: C21H18ClF5N4O4
MW: 520.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.8
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass520.0936736
Monoisotopic Mass520.0936736
Topological Polar Surface Area94.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity819
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3603554-01BAY 2402234
BUP04771-01BAY-2402234
S8847-100mgOrludodstat (BAY 2402234)
A19822-50BAY-2402234 50mg
A19822-25BAY-2402234 25mg
A19822-10BAY-2402234 10mg
A19822-100BAY-2402234 100mg
A19822-5BAY-2402234 5mg
A19822-2BAY-2402234 2mg
A19822-1BAY-2402234 1mg

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