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ERG240

CAT: 0804-HY-W193545A-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-W193545A-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ERG240 is an oral active branched-chain amino acid aminotransferase 1 (BCAT1) inhibitor. ERG240 can be used for the research of cancer, rheumatoid arthritis, and bone disease[1].
CAS Number
1415683-79-2
UNSPSC
12352211
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/egr240.html
Purity
98.0
Solubility
DMSO : 25 mg/mL (ultrasonic; warming; heat to 60°C) |H2O : 100 mg/mL (ultrasonic)
Smiles
O=C(CCC(C)C(C)=O)O[Na]
Molecular Formula
C7H11NaO3
Molecular Weight
166.15
References & Citations
[1]Papathanassiu, et al. Methods for treatment of cancer, inflammatory autoimmune disorders and bone diseases using branched-chain amino acid aminotransferase-1 (BCAT1) inhibitors. Patent. WO2012173987.|[2]Papathanassiu AE, et al. BCAT1 controls metabolic reprogramming in activated human macrophages and is associated with inflammatory diseases. Nat Commun. 2017 Jul 12;8:16040.|[3]Papathanassiu A E, et al. Inhibition of BCAT1 suppresses the expression of pro-metastatic proteins and reduces cancer metastasis[J]. Cancer Research, 2014, 74 (19_Supplement) : 2683-2683.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Sodium 4-methyl-5-oxohexanoate
CAS Number1415683-79-2
PubChem CID165437314
IUPAC Namesodium 4-methyl-5-oxohexanoate
Molecular FormulaC7H11NaO3
Molecular Weight166.15
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity145
SMILES
CC(CCC(=O)[O-])C(=O)C.[Na+]
InChI
InChI=1S/C7H12O3.Na/c1-5(6(2)8)3-4-7(9)10;/h5H,3-4H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKey
QEQCTLAIARYMND-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium 4-methyl-5-oxohexanoate
CAS: 1415683-79-2
CID: 165437314
Formula: C7H11NaO3
MW: 166.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.15
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass166.06058849
Monoisotopic Mass166.06058849
Topological Polar Surface Area57.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity145
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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