2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide , CAS No.A608986

Item Number

A608986

Grouped product items
SKU	Size	Availability	Price	Qty
A608986-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,000.90
A608986-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

Specifications & Purity

Moligand™

Grade

Moligand™

Associated Targets(Human)

OVCAR-3 (48710 Activities)

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

KIF18A Tchem Kinesin-like protein KIF18A (889 Activities)

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

Names and Identifiers

IUPAC Name	2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide
INCHI	InChI=1S/C28H38N4O5S2/c1-26(2,3)31-38(34,35)22-7-5-6-20(18-22)29-25(33)23-9-8-21(30-39(36,37)27(4)10-11-27)19-24(23)32-16-14-28(12-13-28)15-17-32/h5-9,18-19,30-31H,10-17H2,1-4H3,(H,29,33)
InChi Key	MZGYQJDGUVDYIK-UHFFFAOYSA-N
Canonical SMILES	CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2c(cc(NS(=O)(=O)C3(C)CC3)cc2)N2CCC3(CC3)CC2)ccc1
Isomeric SMILES	CC1(CC1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC(C)(C)C)N4CCC5(CC5)CC4
PubChem CID	155780813

References

1. Tamayo NA, Bourbeau MP, Allen JR, Ashton KS, Chen JJ, Kaller MR, Nguyen TT, Nishimura N, Pettus LH, Walton M et al.. (2022) Targeting the Mitotic Kinesin KIF18A in Chromosomally Unstable Cancers: Hit Optimization Toward an In Vivo Chemical Probe.. J Med Chem, 65 (6): (4972-4990). [PMID:35286090]

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Basic Description