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XY-06-007 , CAS No.X614905, Inhibitor of bromodomain containing 4;Inhibitor of polo like kinase 1

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XY-06-007 , CAS No.X614905, Inhibitor of bromodomain containing 4;Inhibitor of polo like kinase 1

Moligand™

PubChem CID: 162526515

Item Number

X614905

Grouped product items
SKU	Size	Availability	Price	Qty
X614905-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$560.90
X614905-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,500.90

View related series

bromodomain containing 4 Inhibitor polo like kinase 1 Inhibitor

Basic Description

Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of bromodomain containing 4;Inhibitor of polo like kinase 1

Associated Targets

BRD4 Tchem Bromodomain-containing protein 4 0 Activities

Discover Target: BRD4

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

PLK1 Tchem Serine/threonine-protein kinase PLK1 0 Activities

Discover Target: PLK1

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

Names and Identifiers

IUPAC Name	(2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]propanamide
INCHI	InChI=1S/C41H41ClN8O8/c1-22(35-37-48-47-23(2)49(37)29-15-14-26(57-3)20-28(29)36(46-35)24-10-12-25(42)13-11-24)38(53)44-19-6-4-5-18-43-33(52)21-58-31-9-7-8-27-34(31)41(56)50(40(27)55)30-16-17-32(51)45-39(30)54/h7-15,20,22,30,35H,4-6,16-19,21H2,1-3H3,(H,43,52)(H,44,53)(H,45,51,54)/t22-,30?,35+/m1/s1
InChi Key	QTDHGBJLMBQHOW-BPJPHOPQSA-N
Canonical SMILES	Clc1ccc(C2=N[C@H](c3nnc(n3c3c2cc(cc3)OC)C)[C@H](C(=O)NCCCCCNC(=O)COc2c3c(C(=O)N(C3=O)C3C(=O)NC(=O)CC3)ccc2)C)cc1
Isomeric SMILES	CC1=NN=C2N1C3=C(C=C(C=C3)OC)C(=N[C@H]2[C@@H](C)C(=O)NCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl
PubChem CID	162526515

Database links

PubChem CID	162526515

Certificates

Certificate of Analysis(COA)

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References

1. Nowak RP, Xiong Y, Kirmani N, Kalabathula J, Donovan KA, Eleuteri NA, Yuan JC, Fischer ES. (2021) Structure-Guided Design of a "Bump-and-Hole" Bromodomain-Based Degradation Tag.. J Med Chem, 64 (15): (11637-11650). [PMID:34279939]

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