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ML 210 - 98%, high purity , CAS No.1360705-96-9
Selectively kills mutant HRAS-expressing cells; glutathione peroxidase inhibitor; induces ferroptosis
Basic Description
Synonyms
CID 49766530 | ML-210 | BRD-K01877528-001-01-6 | SMR001941104 | HY-100003 | SCHEMBL21965947 | D83838 | CHEBI:92034 | ML210 | ML-210 | BRD7528 | BRD-7528 | BRD-K01877528-001-04-0 | BDBM50547193 | EX-A3516 | (4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)(5-m
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Glutathione peroxidase (GPX4) inhibitor. Kills mutant RAS-expressing cell lines (IC50values are 71 and 272 nM for HRAS G12v mutant expressing cell lines BJeLR and BJeH-LT, respectively). Exhibits 4-fold selectivity for HRAS mutant-expressing cell lines. I
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylmethanes
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylmethanes
Alternative Parents
2-heteroaryl carboxamides Nitroaromatic compounds Aralkylamines Chlorobenzenes N-alkylpiperazines Aryl chlorides Tertiary carboxylic acid amides Isoxazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Organic oxoazanium compounds Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diphenylmethane - 2-heteroaryl carboxamide - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Azole - Heteroaromatic compound - Isoxazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Organic nitro compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organohalogen compound - Organic oxygen compound - Organochloride - Organopnictogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488201429
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488201429
IUPAC Name
[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
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
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-]
Isomeric 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-]
WGK Germany
3
Molecular Weight
475.32
Reaxy-Rn
22334306
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22334306&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solvent:DMSO, Max Conc. mg/mL: 23.77, Max Conc. mM: 50
Molecular Weight
475.300 g/mol
XLogP3
4.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Exact Mass
474.086 Da
Monoisotopic Mass
474.086 Da
Topological Polar Surface Area
95.400 Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
635.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Hanjun Wu, Xiaofang Yang, Huali Zhang, Dajun Shi, Yan Xia, Weijun Zhang, Zhiquan Pan, Dongsheng Wang.
(2020)
Removal of Tetracycline, 2,4-Dichlorophenol, and Glyphosate from Aqueous Solution by Novel Humic Acid-Modified g-C3N4-Supported Hydrotalcite-like Compounds: Kinetics, Isotherm, Thermodynamics, and Reusability Exploration. JOURNAL OF CHEMICAL AND ENGINEERING DATA,
65
(10):
(4914–4923).
2.
Zhongtang Wang, Zhaoya Huang, Yun Xie, Zhaoyi Tan.
(2019)
Method for determination of Pu isotopes in soil and sediment samples by inductively coupled plasma mass spectrometry after simple chemical separation using TK200 resin. ANALYTICA CHIMICA ACTA,
1090
(151).
3.
Shuxuan Wu, Yu Yang, Xu Han, Sheng Deng, Jiayu Kang, Beidou Xi, Yonghai Jiang.
(2025)
Pilot-scale experimental study on the enhanced natural attenuation of complex organic contaminants based on the recharge of electron acceptors. WATER RESEARCH,
268
(122731).
4.
Xinqi Xu, Jinchang Zhong, Bingmei Su, Lian Xu, Xiaokun Hong, Juan Lin.
(2024)
Single-cell enzymatic cascade synthesis of testolactone enabled by engineering of polycyclic ketone monooxygenase and multi-gene expression fine-tuning. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,
275
(133229).
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4 Citations
D2306658