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4-tert-butyl-N-[7-chloro-2-(2-methyl-1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide , CAS No.T608983, Antagonist of CCR9

COA

Grade & Purity:

Moligand™

PubChem CID: 118197428

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Item Number

T608983

Grouped product items
SKU	Size	Availability	Price	Qty
T608983-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$680.90
T608983-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,020.90

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CCR9 Antagonist (1)

Basic Description

Synonyms	compound 24
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of CCR9

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoindoles and derivatives
    - Subclass Isoindolines
      - Level5 Isoindolones
        Level6 Phthalimides

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoindoles and derivatives
Subclass	Isoindolines
Intermediate Tree Nodes	Isoindolones
Direct Parent	Phthalimides
Alternative Parents	Benzenesulfonamides Sulfanilides Phenylpropanes Benzenesulfonyl compounds Isoindoles Methylpyridines Aryl chlorides Pyridinium derivatives Organosulfonamides N-substituted carboxylic acid imides Aminosulfonyl compounds Vinylogous halides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phthalimide - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Isoindole - Phenylpropane - Methylpyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyridine - Pyridinium - Benzenoid - Organosulfonic acid amide - Carboxylic acid imide - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
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)

CCR9 Tchem C-C chemokine receptor type 9 (4 Activities)

Discover Target: CCR9

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

CCR9 Tchem C-C chemokine receptor type 9 (785 Activities)

Discover Target: CCR9

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

Associated Targets(non-human)

Mus musculus (284745 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	4-tert-butyl-N-[7-chloro-2-(2-methyl-1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
INCHI	InChI=1S/C24H22ClN3O5S/c1-14-19(6-5-13-27(14)31)28-22(29)20-17(25)11-12-18(21(20)23(28)30)26-34(32,33)16-9-7-15(8-10-16)24(2,3)4/h5-13,26H,1-4H3
InChIKey	SEZYEWZALINSCW-UHFFFAOYSA-N
Smiles	O=C1c2c(ccc(c2C(=O)N1c1ccc[n+](c1C)[O-])Cl)NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Isomeric SMILES	CC1=C(C=CC=[N+]1[O-])N2C(=O)C3=C(C=CC(=C3C2=O)Cl)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C
PubChem CID	118197428

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