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G protein-coupled receptors (GPCRs)
Chemokine receptors
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

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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

Moligand™

PubChem CID: 118197428

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

View related series

CCR9 Antagonist

Basic Description

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

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
InChi Key	SEZYEWZALINSCW-UHFFFAOYSA-N
Canonical 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

Database links

PubChem CID	118197428
GPCRdb Ligand	compound 24 [PMID: 26987013 ]

Certificates

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References

1. Kalindjian SB, Kadnur SV, Hewson CA, Venkateshappa C, Juluri S, Kristam R, Kulkarni B, Mohammed Z, Saxena R, Viswanadhan VN et al.. (2016) A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.. J Med Chem, 59 (7): (3098-111). [PMID:26987013] [10.1021/op500134e]

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