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ML210

CAT: 0013-GTR19167067-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167067-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML-210 is a potent, selective, and covalent GPX4 inhibitor (EC50=30 nM) . It is a research tool used to induce ferroptosis, a form of regulated cell death, and has demonstrated antitumor activity in both cellular and in vivo cancer models.
CAS Number
1360705-96-9
Product Name Alternative
Covalent, CID 49766530, CID49766530, CID-49766530, anti-cancer, inhibit, ML210, ML-210, ML 210, Inhibitor, Ferroptosis, GlutathionePeroxidase, GPX4, Gpx4, glutathione, Glutathione Peroxidase, Ras, peroxidase, selenocysteine, residue
Field of Research
Cell Biology
Purity
>98%
Bioactivity
GPX4 inhibitor; Ferroptosis Inducer
Form
Powder
Solubility
Soluble in DMSO (up to 30 mg/ml)
Smiles
Cc1onc (C (=O) N2CCN (CC2) C (c2ccc (Cl) cc2) c2ccc (Cl) cc2) c1[N+] ([O-]) =O
Molecular Formula
C22H20Cl2N4O4
Molecular Weight
475.3
Storage Conditions
RT
Notes
For research use only.
Other Product Names
(4- (Bis (4-chlorophenyl) methyl) piperazine-1-yl) (5-methyl-4-nitroisoxazol-3-yl) methanone

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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