DIM-C-pPhOH - Moligand™, ≥98%(HPLC) , CAS No.151358-47-3

CAS: 151358-47-3 Cat. No.: D288699 Molecular Weight: 338.408

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

1,1-Bis(3'-indolyl)-1-(p-hydroxyphenyl)methane | C-DIM8 | (4-Hydroxyphenyl)bis(1H-indol-3-yl)methane | (4-Hydroxyphenyl)bis(1H-indol-3-yl)methane | 4-(Di-1H-indol-3-ylmethyl)phenol | 7,7-Bis(3-indolyl)-p-cresol | CDIM8

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

product description：

DIM-C-pPhOH is a nuclear receptor 4A1 (NR4A1) antagonist. DIM-C-pPhOH inhibits cancer cell growth and mTOR signaling, induce apoptosis and cellular stress. DIM-C-pPhOH reduces cell proliferation with IC50 values of 13.6 μM and 13.0 μM for ACHN cells and 786-O cells, respectively。

Specifications

Synonyms

1, 1-Bis(3'-indolyl)-1-(p-hydroxyphenyl)methane | C-DIM8 | (4-Hydroxyphenyl)bis(1H-indol-3-yl)methane | (4-Hydroxyphenyl)bis(1H-indol-3-yl)methane | 4-(Di-1H-indol-3-ylmethyl)phenol | 7, 7-Bis(3-indolyl)-p-cresol | CDIM8

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Nur77 (NR4A1) antagonist. Inhibits TGF-β induced cell migration of breast cancer cell lines. Promotes ROS/endoplasmic reticulum stress and proapoptotic pathways in pancreatic cancer cell lines. Mimics effects of Nur77 RNAi silencing.

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504762255
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762255
• Canonical Smiles: C1=CC=C2C(=C1)C(=CN2)C(C3=CC=C(C=C3)O)C4=CNC5=CC=CC=C54
• IUPAC Name: 4-[bis(1H-indol-3-yl)methyl]phenol
• InChIKey: QCPDFNWJBQMXLI-UHFFFAOYSA-N
• INCHI: 1S/C23H18N2O/c26-16-11-9-15(10-12-16)23(19-13-24-21-7-3-1-5-17(19)21)20-14-25-22-8-4-2-6-18(20)22/h1-14,23-26H
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)C(C3=CC=C(C=C3)O)C4=CNC5=CC=CC=C54
• Molecular Weight: 338.408
• Reaxy-Rn: 9349809
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9349809&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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

Associated Targets(Human)

MCF7 (126967 Activities)

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FFAR1 Tchem Free fatty acid receptor 1 (4763 Activities)

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FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)

Discover Target: FFAR4

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Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

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Mycobacterium intracellulare (1532 Activities)

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Aspergillus fumigatus (16427 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Leishmania donovani (89745 Activities)

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Vero (26788 Activities)

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TUBB2B Tubulin (2175 Activities)

Discover Target: TUBB2B

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 33.84, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 33.84, Max Conc. mM: 100
• Sensitivity: Air sensitive; Heat sensitive
• Molecular Weight: 338.400 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 338.142 Da
• Monoisotopic Mass: 338.142 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 443.000
• 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