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RG7388 - 98%, high purity , Tumour suppressor p53/oncoprotein Mdm2 inhibitor, CAS No.1229705-06-9, Tumour suppressor p53/oncoprotein Mdm2 inhibitor
Potent MDM2 inhibitor; inhibits MDM2-p53 interaction
Basic Description
Synonyms
TVTXCJFHQKSQQM-LJQIRTBHSA-N | EN300-26181975 | RO5503781 | BP-25380 | 4-((2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxamido)-3-methoxybenzoic acid. | CLADRIBINE [MI] | UNII-5M84PX7JN2 | 4-((2
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Potent MDM2 inhibitor (IC50= 6 nM in binding assay, and 30 nM in cancer cell proliferation assay). Induces p53 stabilisation, cell cycle arrest and apoptosis in cancer cells expression wildtype p53. Displays inhibition of tumor growth in the SJSA1 tumor x
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.
Action Type
INHIBITOR
Mechanism of action
Tumour suppressor p53/oncoprotein Mdm2 inhibitor
Product Description
Idasanutlin (RG-7388) is a potent and selective p53-MDM2 inhibitor with IC50 of 6 nM.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Stilbenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Stilbenes
Alternative Parents
Acylaminobenzoic acid and derivatives Proline and derivatives Alpha amino acid amides M-methoxybenzoic acids and derivatives Phenylpyrrolidines Anilides Methoxyanilines Benzoic acids Phenoxy compounds Pyrrolidinecarboxamides Anisoles N-arylamides Methoxybenzenes Benzoyl derivatives Aralkylamines Chlorobenzenes Fluorobenzenes Alkyl aryl ethers Aryl chlorides Aryl fluorides Pyrroles Secondary carboxylic acid amides Amino acids Dialkylamines Azacyclic compounds Nitriles Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Stilbene - Acylaminobenzoic acid or derivatives - Proline or derivatives - Alpha-amino acid amide - M-methoxybenzoic acid or derivatives - 3-phenylpyrrolidine - Alpha-amino acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Anilide - Methoxyaniline - Benzoyl - Phenoxy compound - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Anisole - N-arylamide - Methoxybenzene - Aralkylamine - Chlorobenzene - Fluorobenzene - Halobenzene - Alkyl aryl ether - Benzenoid - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrrolidine - Pyrrole - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Amino acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Secondary aliphatic amine - Carboxylic acid - Secondary amine - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
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
504771165
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504771165
IUPAC Name
4-[[(2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]-3-methoxybenzoic acid
INCHI
InChI=1S/C31H29Cl2F2N3O4/c1-30(2,3)14-24-31(15-36,19-10-9-17(32)13-21(19)34)25(18-6-5-7-20(33)26(18)35)27(38-24)28(39)37-22-11-8-16(29(40)41)12-23(22)42-4/h5-13,24-25,27,38H,14H2,1-4H3,(H,37,39)(H,40,41)/t24-,25-,27+,31-/m0/s1
InChIKey
TVTXCJFHQKSQQM-LJQIRTBHSA-N
Smiles
CC(C)(C)CC1C(C(C(N1)C(=O)NC2=C(C=C(C=C2)C(=O)O)OC)C3=C(C(=CC=C3)Cl)F)(C#N)C4=C(C=C(C=C4)Cl)F
Isomeric SMILES
CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NC2=C(C=C(C=C2)C(=O)O)OC)C3=C(C(=CC=C3)Cl)F)(C#N)C4=C(C=C(C=C4)Cl)F
PubChem CID
53358942
Molecular Weight
616.48
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solvent:DMSO, Max Conc. mg/mL: 61.65, Max Conc. mM: 100;DMSO (Slightly), Methanol (Slightly)
Molecular Weight
616.500 g/mol
XLogP3
4.300
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
8
Exact Mass
615.15 Da
Monoisotopic Mass
615.15 Da
Topological Polar Surface Area
111.000 Ų
Heavy Atom Count
42
Formal Charge
0
Complexity
1040.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
4
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.
Kang Chen, Xiu Xin, Lipeng Qiu, Wenpan Li, Guannan Guan, Gang Li, Mingxi Qiao, Xiuli Zhao, Haiyang Hu, Dawei Chen.
(2019)
Co-delivery of p53 and MDM2 inhibitor RG7388 using a hydroxyl terminal PAMAM dendrimer derivative for synergistic cancer therapy.
Acta Biomaterialia,
100
(118).
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