YH 239-EE - ≥98%(HPLC) , CAS No.1364488-67-4

CAS: 1364488-67-4 Cat. No.: Y287733 Formule: C₂₅H₂₇Cl₂N₃O₄ Poids moléculaire: 504.41 PubChem CID: 56943013

QUALITÉ & PURETÉ ≥98%(HPLC)

Synonyms

Ethyl 3-[2-(tert-butylamino)-1-[N-(4-chlorobenzyl)formamido]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

Ethyl 3-[2-(tert-butylamino)-1-[N-(4-chlorobenzyl)formamido]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

MDM2 inhibitor. Disrupts MDM2-p53 and activates p53 activityin vitro. Prevents mitotic catastrophe and promotes survival of aged muscle stem cells (muSCs). Also inhibits proliferation of AML cellsin vitro.

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.

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

504771495

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771495

Sourires canoniques

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)Cl)C(C(=O)NC(C)(C)C)N(CC3=CC=C(C=C3)Cl)C=O

IUPAC Name

ethyl 3-[2-(tert-butylamino)-1-[(4-chlorophenyl)methyl-formylamino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate

InChIKey

OTUBDDRFPQLPKD-UHFFFAOYSA-N

INCHI

1S/C25H27Cl2N3O4/c1-5-34-24(33)21-20(18-11-10-17(27)12-19(18)28-21)22(23(32)29-25(2,3)4)30(14-31)13-15-6-8-16(26)9-7-15/h6-12,14,22,28H,5,13H2,1-4H3,(H,29,32)

Isomères SMILES

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)Cl)C(C(=O)NC(C)(C)C)N(CC3=CC=C(C=C3)Cl)C=O

PubChem CID

56943013

Poids moléculaire

504.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids and derivatives
• Alternative Parents: 3-alkylindoles Alpha amino acids and derivatives Pyrrole carboxylic acids and derivatives Chlorobenzenes Substituted pyrroles Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid derivative - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Pyrrole-2-carboxylic acid or derivatives - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 50.44, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 10.09, Max Conc. mM: 20
• Poids moléculaire: 504.400 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 503.138 Da
• Monoisotopic Mass: 503.138 Da
• Topological Polar Surface Area: 91.500 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 723.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1