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IKK-beta inhibitor R-28 , CAS No.I610972, Inhibitor of inhibitor of nuclear factor kappa B kinase subunit beta

COA

Grade & Purity:

Moligand™

PubChem CID: 59332591

In stock

Item Number

I610972

Grouped product items
SKU	Size	Availability	Price	Qty
I610972-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
I610972-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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inhibitor of nuclear factor kappa B kinase subunit beta Inhibitor (8)

Basic Description

Synonyms	(R)-28 \| example 225 [US8372875B2]
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of inhibitor of nuclear factor kappa B kinase subunit beta

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Indolecarboxamides and derivatives
Alternative Parents	3-alkylindoles Fluorobenzenes Thianes Substituted pyrroles Aryl fluorides Vinylogous amides Sulfones Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxamide derivative - 3-alkylindole - Indole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiane - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Sulfone - Carboxamide group - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
External Descriptors	Not available
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)

IKBKB Tchem Inhibitor of nuclear factor kappa-B kinase subunit beta (2 Activities)

Discover Target: IKBKB

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

IKBKB Tchem Inhibitor of nuclear factor kappa B kinase beta subunit (5554 Activities)

Discover Target: IKBKB

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

Associated Targets(non-human)

Canis familiaris (36305 Activities)

Explore this target

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-[(4R)-2,2-dimethyl-1,1-dioxothian-4-yl]-5-(4-fluorophenyl)-1H-indole-7-carboxamide
INCHI	InChI=1S/C22H23FN2O3S/c1-22(2)11-14(7-8-29(22,27)28)19-12-25-20-17(19)9-15(10-18(20)21(24)26)13-3-5-16(23)6-4-13/h3-6,9-10,12,14,25H,7-8,11H2,1-2H3,(H2,24,26)/t14-/m1/s1
InChIKey	YGYGASJNJTYNOL-CQSZACIVSA-N
Smiles	Fc1ccc(cc1)c1cc(C(=O)N)c2c(c1)c(c[nH]2)[C@@H]1CCS(=O)(=O)C(C1)(C)C
Isomeric SMILES	CC1(C[C@@H](CCS1(=O)=O)C2=CNC3=C2C=C(C=C3C(=O)N)C4=CC=C(C=C4)F)C
PubChem CID	59332591

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