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ML 210

CAT: 1568-C07322-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C07322-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1360705-96-9
Synonyms
CID 49766530
SKU
C07322-5mg
Target
Peroxidases
Applications
Metabolism
Smiles
CC1=C (C (=NO1) C (=O) N2CCN (CC2) C (C3=CC=C (C=C3) Cl) C4=CC=C (C=C4) Cl) [N+] (=O) [O-]
Molecular Formula
C22H20Cl2N4O4
Additionnal Information
ML-210 (CID 49766530) is a selective covalent inhibitor of cellular glutathione peroxidase 4 (GPX4) with EC50 of 0.04 μM and induces ferroptosis. ML-210 can selectively kill cells induced to express mutant RAS. ML-210 exhibits anti-cancer activity.
Storage Conditions
3 years -20°C powder

Chemical Information

ML-210
CAS Number1360705-96-9
PubChem CID49766530
IUPAC Name[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
Molecular FormulaC22H20Cl2N4O4
Molecular Weight475.3
XLogP4.6
Topological Polar Surface Area95.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity635
SMILES
CC1=C(C(=NO1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)[N+](=O)[O-]
InChI
InChI=1S/C22H20Cl2N4O4/c1-14-20(28(30)31)19(25-32-14)22(29)27-12-10-26(11-13-27)21(15-2-6-17(23)7-3-15)16-4-8-18(24)9-5-16/h2-9,21H,10-13H2,1H3
InChIKey
VIBHJPDPEVVDTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML-210
CAS: 1360705-96-9
CID: 49766530
Formula: C22H20Cl2N4O4
MW: 475.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.3
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass474.0861605
Monoisotopic Mass474.0861605
Topological Polar Surface Area95.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity635
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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