DIM-C-pPhCO2Me - 10mM in DMSO , CAS No.151358-48-4

CAS: 151358-48-4 Cat. No.: D421792 Formule: C₂₅H₂₀N₂O₂ Poids moléculaire: 380.44

GRADE & PURITY 10mM in DMSO

Synonyms

methyl 4-(di(1H-indol-3-yl)methyl)benzoate | BS-15476 | 4-(di-1h-indol-3-ylmethyl)-benzoic acid methyl ester | Methyl 4-[bis(1H-indol-3-yl)methyl]benzoate | MFCD31697720 | HY-112056 | s6785 | Methyl 4-(di-1H-indol-3-ylmethyl)benzoate | AKOS037515653 | BGA

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

DIM-C-pPhCO2Me DIM-C-pPhCO2Me is a nuclear receptor 4A1 (NR4A1)(Nur77) antagonist with antineoplastic activity.

Targets

Nur77

Specifications

Synonymes

methyl 4-(di(1H-indol-3-yl)methyl)benzoate | BS-15476 | 4-(di-1h-indol-3-ylmethyl)-benzoic acid methyl ester | Methyl 4-[bis(1H-indol-3-yl)methyl]benzoate | MFCD31697720 | HY-112056 | s6785 | Methyl 4-(di-1H-indol-3-ylmethyl)benzoate | AKOS037515653 | BGA

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

DIM-C-pPhCO2Me is a nuclear receptor 4A1 (NR4A1)(Nur77) antagonist with antineoplastic activity.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Type d'action

ANTAGONIST

Noms et identifiants

• Pubchem Sid: 528764126
• Sourires canoniques: COC(=O)C1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
• IUPAC Name: methyl 4-[bis(1H-indol-3-yl)methyl]benzoate
• InChIKey: BBAOKSZCULLDIW-UHFFFAOYSA-N
• INCHI: 1S/C25H20N2O2/c1-29-25(28)17-12-10-16(11-13-17)24(20-14-26-22-8-4-2-6-18(20)22)21-15-27-23-9-5-3-7-19(21)23/h2-15,24,26-27H,1H3
• Isomères SMILES: COC(=O)C1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
• Poids moléculaire: 380.44
• Reaxy-Rn: 24582592
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24582592&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Benzoic acid esters 3-alkylindoles Benzoyl derivatives Substituted pyrroles Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: P-cymene - Aromatic monoterpenoid - Benzoate ester - 3-alkylindole - Benzoic acid or derivatives - Indole - Indole or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 380.400 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 380.152 Da
• Monoisotopic Mass: 380.152 Da
• Topological Polar Surface Area: 57.900 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 541.000
• 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