MPI-0485520 - Moligand™ , Inhibitor of inhibitor of nuclear factor kappa B kinase subunit epsilon;Inhibitor of TANK binding kinase 1, CAS No.M612008, Inhibitor of inhibitor of nuclear factor kappa B kinase subunit epsilon;Inhibitor of TANK binding kinase 1

CAS: M612008 Cat. No.: M612008 PubChem CID: 56646218

GRADE & PURITY Moligand™

Synonyms

MPC-9528;MPI-485520

Storage

Room temperature

Specifications

동의어

MPC-9528;MPI-485520

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of inhibitor of nuclear factor kappa B kinase subunit epsilon;Inhibitor of TANK binding kinase 1

이름과 식별자

• 정식 스마일: N#Cc1cc(ccc1N1CCCC1)c1ccnc(n1)Nc1ccc2c(c1)CC(=O)N2
• InChIKey: DHPSFJYFPJRCTN-UHFFFAOYSA-N
• INCHI: 1S/C23H20N6O/c24-14-17-11-15(3-6-21(17)29-9-1-2-10-29)20-7-8-25-23(28-20)26-18-4-5-19-16(12-18)13-22(30)27-19/h3-8,11-12H,1-2,9-10,13H2,(H,27,30)(H,25,26,28)
• 이성체 SMILES: C1CCN(C1)C2=C(C=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)NC(=O)C5)C#N
• PubChem CID: 56646218

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: Phenylpyrrolidines Indolines Dialkylarylamines Aniline and substituted anilines Benzonitriles Aminopyrimidines and derivatives Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Secondary amines Nitriles Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylpyrimidine - 1-phenylpyrrolidine - Indole or derivatives - Dihydroindole - Benzonitrile - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrolidine - Pyrrole - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Secondary amine - Azacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Carbonyl group - Amine - Organic oxygen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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)

IKBKE Tchem Inhibitor of nuclear factor kappa-B kinase subunit epsilon (1 Activities)

Discover Target: IKBKE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TBK1 Tchem Serine/threonine-protein kinase TBK1 (2 Activities)

Discover Target: TBK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

IKBKE Tchem Inhibitor of nuclear factor kappa B kinase epsilon subunit (3311 Activities)

Discover Target: IKBKE

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

작용 메커니즘

자주 묻는 질문

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is M612008. InChIKey DHPSFJYFPJRCTN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.