GSK8612 - Moligand™ , Inhibitor of inhibitor of nuclear factor kappa B kinase subunit epsilon;Inhibitor of TANK binding kinase 1, CAS No.G610731, Inhibitor of inhibitor of nuclear factor kappa B kinase subunit epsilon;Inhibitor of TANK binding kinase 1

CAS: G610731 Cat. No.: G610731 PubChem CID: 137553174
Disponibile su ordine
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Storage
Room temperature
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Size
Germania (EU)
USA*
Price
Qty
5mg
G610731-5mg
Su ordinazione · 8–12 settimane

991,74€

1.158,34€
Salva 166,61 € (14.38%)
25mg
G610731-25mg
Su ordinazione · 8–12 settimane

1.488,09€

1.737,13€
Salva 249,04 € (14.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifiche e purezza
Moligand™
Condizioni di conservazione di stoccaggio
Room temperature
Grado
Moligand™
Tipo di azione
INHIBITOR
Meccanismo d'azione
Inhibitor of inhibitor of nuclear factor kappa B kinase subunit epsilon;Inhibitor of TANK binding kinase 1
Nomi e identificatori
Sorrisi canonici
Brc1cnc(nc1NCc1ccc(cc1)S(=O)(=O)N)Nc1cn(nc1C)CC(F)(F)F
IUPAC Name
4-{[(5-bromo-2-{[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)amino]methyl}benzene-1-sulfonamide
InChIKey
FFPHMUIGESPOTK-UHFFFAOYSA-N
INCHI
1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)
Isomeri SMILES
CC1=NN(C=C1NC2=NC=C(C(=N2)NCC3=CC=C(C=C3)S(=O)(=O)N)Br)CC(F)(F)F
PubChem CID
137553174

Documentazione

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassBenzenesulfonamides
Intermediate Tree Nodes Not available
Direct ParentBenzenesulfonamides
Alternative Parents Secondary alkylarylamines  Halopyrimidines  Organosulfonamides  Organic sulfonamides  Imidolactams  Heteroaromatic compounds  Azoles  Aminosulfonyl compounds  Vinyl bromides  Propargyl-type 1,3-dipolar organic compounds  Hydrazones  Carboximidamides  Bromoalkenes  Azacyclic compounds  Amidines  Organopnictogen compounds  Organofluorides  Organobromides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzenesulfonamide - Secondary aliphatic/aromatic amine - Halopyrimidine - Imidolactam - Organosulfonic acid amide - Organic sulfonic acid amide - Pyrimidine - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl bromide - Secondary amine - Hydrazone - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
IKBKE Tchem Inhibitor of nuclear factor kappa-B kinase subunit epsilon (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TBK1 Tchem Serine/threonine-protein kinase TBK1 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
DAPK3 Tchem Death-associated protein kinase 3 (2108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAP2K5 Tchem Dual specificity mitogen-activated protein kinase kinase 5 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PI4KB Tchem PI4-kinase beta subunit (1593 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSF1R Tclin Macrophage colony stimulating factor receptor (5179 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IKBKE Tchem Inhibitor of nuclear factor kappa B kinase epsilon subunit (3311 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AAK1 Tchem Adaptor-associated kinase (1053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
STK17B Tchem Serine/threonine-protein kinase 17B (773 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MKNK2 Tchem MAP kinase signal-integrating kinase 2 (3518 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
STK17A Tchem Serine/threonine-protein kinase 17A (1791 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MARK3 Tchem Serine/threonine-protein kinase c-TAK1 (2532 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TBK1 Tchem Serine/threonine-protein kinase TBK1 (3746 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ULK3 Tchem Serine/threonine-protein kinase ULK3 (913 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MARK4 Tchem MAP/microtubule affinity-regulating kinase 4 (1536 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NUAK2 Tchem NUAK family SNF1-like kinase 2 (630 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare520.299 g/mol
XLogP32.900
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass519.03 Da
Monoisotopic Mass519.03 Da
Topological Polar Surface Area136.000 Ų
Heavy Atom Count31
Formal Charge0
Complexity688.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Domande frequenti

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 G610731. InChIKey FFPHMUIGESPOTK-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.

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