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

CAS: 151358-47-3 Cat. No.: D288699 분자식: C₂₃H₁₈N₂O 분자량: 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

개요

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

동의어

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

사양 및 순도

Moligand™, ≥98%(HPLC)

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

Moligand™

순수함

≥98%(HPLC)

이름과 식별자

• Pubchem Sid: 504762255
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762255
• 정식 스마일: 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
• 이성체 SMILES: C1=CC=C2C(=C1)C(=CN2)C(C3=CC=C(C=C3)O)C4=CNC5=CC=CC=C54
• 분자량: 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
    • 분류 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

MCF7 (126967 Activities)

Explore this target

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

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

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

관련 대상(비인간)

Staphylococcus aureus (210822 Activities)

Explore this target

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

Mycobacterium intracellulare (1532 Activities)

Explore this target

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

Aspergillus fumigatus (16427 Activities)

Explore this target

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

Cryptococcus neoformans (21258 Activities)

Explore this target

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

Candida albicans (78123 Activities)

Explore this target

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

Leishmania donovani (89745 Activities)

Explore this target

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

Vero (26788 Activities)

Explore this target

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

TUBB2B Tubulin (2175 Activities)

Discover Target: TUBB2B

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 33.84, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 33.84, Max Conc. mM: 100
• 감도: Air sensitive; Heat sensitive
• 분자량: 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