3-{2-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl}pyridine , CAS No.D608931, Inhibitor of AP2 associated kinase 1

Item Number
D608931
Grouped product items
SKUSizeAvailabilityPrice Qty
D608931-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,400.90
D608931-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,000.90

Basic Description

Specifications & PurityMoligand™
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of AP2 associated kinase 1

Associated Targets(Human)

AAK1 Tchem AP2-associated protein kinase 1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
AAK1 Tchem Adaptor-associated kinase (1053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Huh-7 (12904 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Huh7.5.1 (171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Dengue virus (413 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
dengue virus type 2 (2400 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ebolavirus (617 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

IUPAC Name 3-{2-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl}pyridine
INCHI InChI=1S/C22H17N3O2/c1-26-20-8-7-16(11-21(20)27-2)18-10-19-17(13-24-22(19)25-14-18)6-5-15-4-3-9-23-12-15/h3-4,7-14H,1-2H3,(H,24,25)
InChi Key CJTVDIBZBUWIFC-UHFFFAOYSA-N
Canonical SMILES COc1cc(ccc1OC)c1cnc2c(c1)c(C#Cc1cccnc1)c[nH]2
Isomeric SMILES COC1=C(C=C(C=C1)C2=CC3=C(NC=C3C#CC4=CN=CC=C4)N=C2)OC
PubChem CID 138393295

Certificates

Certificate of Analysis(COA)

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Related Documents

References

1. Neveu G, Barouch-Bentov R, Ziv-Av A, Gerber D, Jacob Y, Einav S.  (2012)  Identification and targeting of an interaction between a tyrosine motif within hepatitis C virus core protein and AP2M1 essential for viral assembly..  PLoS Pathog,  (8): (e1002845).  [PMID:22916011]
2. Neveu G, Ziv-Av A, Barouch-Bentov R, Berkerman E, Mulholland J, Einav S.  (2015)  AP-2-associated protein kinase 1 and cyclin G-associated kinase regulate hepatitis C virus entry and are potential drug targets..  J Virol,  89  (8): (4387-404).  [PMID:25653444]
3. Bekerman E, Neveu G, Shulla A, Brannan J, Pu SY, Wang S, Xiao F, Barouch-Bentov R, Bakken RR, Mateo R et al..  (2017)  Anticancer kinase inhibitors impair intracellular viral trafficking and exert broad-spectrum antiviral effects..  J Clin Invest,  127  (4): (1338-1352).  [PMID:28240606]
4. Verdonck S, Pu SY, Sorrell FJ, Elkins JM, Froeyen M, Gao LJ, Prugar LI, Dorosky DE, Brannan JM, Barouch-Bentov R et al..  (2019)  Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity..  J Med Chem,  62  (12): (5810-5831).  [PMID:31136173]

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