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4-[3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl]-2-methylbut-3-yn-2-ol , CAS No.A609105, Inhibitor of mitogen-activated protein kinase kinase kinase 14

Moligand™

PubChem CID: 58221375

Item Number

A609105

Grouped product items
SKU	Size	Availability	Price	Qty
A609105-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,000.90
A609105-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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mitogen-activated protein kinase kinase kinase 14 Inhibitor

Synonyms

compound 31

Specifications & Purity

Moligand™

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of mitogen-activated protein kinase kinase kinase 14

Associated Targets

IKBKE Tchem Inhibitor of nuclear factor kappa-B kinase subunit epsilon 0 Activities

Discover Target: IKBKE

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

CHUK Tchem Inhibitor of nuclear factor kappa-B kinase subunit alpha 0 Activities

Discover Target: CHUK

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

IKBKB Tchem Inhibitor of nuclear factor kappa-B kinase subunit beta 0 Activities

Discover Target: IKBKB

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

MAP3K14 Tchem Mitogen-activated protein kinase kinase kinase 14 2 Activities

Discover Target: MAP3K14

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

Names and Identifiers

IUPAC Name	4-[3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl]-2-methylbut-3-yn-2-ol
INCHI	InChI=1S/C20H22N4O3/c1-20(2,25)7-6-13-4-5-16-14(10-13)15(11-22-16)18-17(27-9-8-26-3)12-23-19(21)24-18/h4-5,10-12,22,25H,8-9H2,1-3H3,(H2,21,23,24)
InChi Key	ZZIZLABGKZWVAW-UHFFFAOYSA-N
Canonical SMILES	COCCOc1cnc(nc1c1c[nH]c2c1cc(C#CC(O)(C)C)cc2)N
Isomeric SMILES	CC(C)(C#CC1=CC2=C(C=C1)NC=C2C3=NC(=NC=C3OCCOC)N)O
PubChem CID	58221375

ChEMBL Ligand

PubChem CID

BindingDB Ligand

RCSB PDB Ligand

References

1. Li K, McGee LR, Fisher B, Sudom A, Liu J, Rubenstein SM, Anwer MK, Cushing TD, Shin Y, Ayres M et al.. (2013) Inhibiting NF-κB-inducing kinase (NIK): discovery, structure-based design, synthesis, structure-activity relationship, and co-crystal structures.. Bioorg Med Chem Lett, 23 (5): (1238-44). [PMID:23374866]

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4-[3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl]-2-methylbut-3-yn-2-ol , CAS No.A609105, Inhibitor of mitogen-activated protein kinase kinase kinase 14

Basic Description

Associated Targets

IKBKE Tchem Inhibitor of nuclear factor kappa-B kinase subunit epsilon 0 Activities

CHUK Tchem Inhibitor of nuclear factor kappa-B kinase subunit alpha 0 Activities

IKBKB Tchem Inhibitor of nuclear factor kappa-B kinase subunit beta 0 Activities

MAP3K14 Tchem Mitogen-activated protein kinase kinase kinase 14 2 Activities

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Related Documents

References

Solution Calculators

Molarity Calculator

Dilution Calculator

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