DIM-C-pPhOCH3 - ≥98%(HPLC) , CAS No.33985-68-1

CAS: 33985-68-1 Cat. No.: D288880 Molecular Weight: 352.43

GRADE & PURITY ≥98%(HPLC)

Synonyms

SCHEMBL2546810 | BCP28953 | 3,3'-((4-Methoxyphenyl)methylene)bis(1H-indole) | DIM-C-pPhOCH3(C-DIM5) | di(indol-3-yl)-p-methoxyphenylmethane | DIM-C-pPhOCH3, >=98% (HPLC) | DIM C pPhOCH3; DIM-C-pPhOMe; DIM C pPhOMe | DIM-C-pPhOCH3 | STK975724 | C-DIM5 | HY

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

SCHEMBL2546810 | BCP28953 | 3, 3'-((4-Methoxyphenyl)methylene)bis(1H-indole) | DIM-C-pPhOCH3(C-DIM5) | di(indol-3-yl)-p-methoxyphenylmethane | DIM-C-pPhOCH3, >=98% (HPLC) | DIM C pPhOCH3; DIM-C-pPhOMe; DIM C pPhOMe | DIM-C-pPhOCH3 | STK975724 | C-DIM5 | HY

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Nur77 agonist. Induces apoptosis in cancer cell linesin vitro. Enhances long-term potentiation in hippocampal slices and long-term contextual fear memory in anin vivomouse model.DIM-C-pPhOCH3 is a Nerve Growth Factor-Induced Bα (NGFI-Bα, Nur77) agonist

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504766349
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766349
• Canonical Smiles: COC1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
• IUPAC Name: 3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole
• InChIKey: ZCCMKJAXOIFTHH-UHFFFAOYSA-N
• INCHI: 1S/C24H20N2O/c1-27-17-12-10-16(11-13-17)24(20-14-25-22-8-4-2-6-18(20)22)21-15-26-23-9-5-3-7-19(21)23/h2-15,24-26H,1H3
• Isomeric SMILES: COC1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
• WGK Germany: 3
• Molecular Weight: 352.43
• Reaxy-Rn: 319680
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=319680&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: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Ether - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen 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)

FFAR1 Tchem Free fatty acid receptor 1 (4763 Activities)

Discover Target: FFAR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 35.24, Max Conc. mM: 100
• Molecular Weight: 352.400 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 352.158 Da
• Monoisotopic Mass: 352.158 Da
• Topological Polar Surface Area: 40.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 457.000
• 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