RG7388 - ≥98% , Tumour suppressor p53/oncoprotein Mdm2 inhibitor, CAS No.1229705-06-9, Tumour suppressor p53/oncoprotein Mdm2 inhibitor

CAS: 1229705-06-9 Cat. No.: R125598 Formule: C₃₁H₂₉Cl₂F₂N₃O₄ Poids moléculaire: 616.48 Numéro CE: 833-504-1 PubChem CID: 53358942

QUALITÉ & PURETÉ ≥98%

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Idasanutlin (RG-7388) is a potent and selective p53-MDM2 inhibitor with IC50 of 6 nM.

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Mécanisme d'action

Tumour suppressor p53/oncoprotein Mdm2 inhibitor

Pureté

≥98%

Propriétés du produit

ALogP

4.3

Noms et identifiants

Pubchem Sid

504771165

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771165

Sourires canoniques

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

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

InChIKey

TVTXCJFHQKSQQM-LJQIRTBHSA-N

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

Isomères 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

Poids moléculaire

616.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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.

DOI: 10.1186/s13321-016-0174-y

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MDM2 Tchem E3 ubiquitin-protein ligase Mdm2 (3 Activities)

Discover Target: MDM2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MDM2 Tchem p53-binding protein Mdm-2 (4545 Activities)

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RKO (1376 Activities)

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SW480 (6023 Activities)

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U2OS (164939 Activities)

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HCT-116 (91556 Activities)

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MDA-MB-435 (38290 Activities)

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Liver microsomes (16955 Activities)

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MDM4 Tchem Protein Mdm4 (729 Activities)

Discover Target: MDM4

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TP53 Tchem Tumour suppressor p53/oncoprotein Mdm2 (2075 Activities)

Discover Target: TP53

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SJSA-1 (970 Activities)

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MOLM-14 (399 Activities)

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MOLM-13 (2241 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Mus musculus (284745 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Liver microsome (341 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 61.65, Max Conc. mM: 100；DMSO (Slightly), Methanol (Slightly)
• Poids moléculaire: 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