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

CAS: 33985-68-1 Cat. No.: D288880 分子式: C₂₄H₂₀N₂O 分子量: 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

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

Specifications

同義語

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

仕様と純度

≥98%以上(HPLC)

生化学的・生理学的メカニズム

Nur77アゴニスト。試験管内でがん細胞株のアポトーシスを誘導する。DIM-C-phOCH3は神経成長因子誘導性Bα（NGFI-Bα、Nur77）アゴニストである。

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

純度

≥98%(HPLC)

名前と識別子

• パブケム・シド: 504766349
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504766349
• カノニカル・スマイル: 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
• 異性体SMILES: COC1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
• WGKドイツ: 3
• 分子量: 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
    • 分類 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 35.24, Max Conc. mM: 100
• 分子量: 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