NIK SMI1 - 98%, high purity , CAS No.1660114-31-7, Inhibitor of leucine rich repeat kinase 2;Inhibitor of mitogen-activated protein kinase kinase kinase 14;Inhibitor of mitogen-activated protein kinase kinase kinase kinase 5;Inhibitor of protein kinase D1

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Item Number
N414283
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N414283-1mg
1mg
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50mg
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NF-κB Inhibitors

Basic Description

Specifications & PurityMoligand™, ≥98%
Biochemical and Physiological MechanismsNIK SMI1 is a highly potent and selective NF-κB-inducing kinase (NIK) inhibitor with Ki of 0.23 nM for NIK-catalyzed hydrolysis of ATP to ADP.NIK SMI1 is an orally active, ATP site-targeting, potent and selective NF-κB-inducing kinase inhibitor (h/m NIK I
Storage TempStore at -20°C
Shipped InIce chest + Ice pads
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of leucine rich repeat kinase 2;Inhibitor of mitogen-activated protein kinase kinase kinase 14;Inhibitor of mitogen-activated protein kinase kinase kinase kinase 5;Inhibitor of protein kinase D1
Product Description

Information

NIK SMI1 NIK SMI1 is a highly potent and selective NF-κB-inducing kinase (NIK) inhibitor with Ki of 0.23 nM for NIK-catalyzed hydrolysis of ATP to ADP.


Targets

NIK-catalyzed hydrolysis of ATP to ADP 0.23 nM(Ki)


In vitro

NIK SMI1 exhibits selective inhibition of LTβR-dependent p52 translocation and transcription of NF-κB2 related genes. NIK SMI1 is shown to have a favorable pharmacokinetic profile across species and to inhibit BAFF-induced B cell survival in vitro.


In vivo

NIK SMI1 inhibits BAFF signaling and reduces splenic marginal zone B cells in vivo.


Cell Research(from reference)

Cell lines:293 cells, HeLa cells, SF9 cell line, Human B cells, Mouse B cells 

Concentrations:1 μM, different concentrations 

Incubation Time:24 h, 5 h 

Associated Targets(Human)

PRKD1 Tchem Serine/threonine-protein kinase D1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MAP3K14 Tchem Mitogen-activated protein kinase kinase kinase 14 (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
LRRK2 Tchem Leucine-rich repeat serine/threonine-protein kinase 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MAP4K5 Tchem Mitogen-activated protein kinase kinase kinase kinase 5 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAP4K5 Tchem Mitogen-activated protein kinase kinase kinase kinase 5 (1523 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RELA Tchem Nuclear factor NF-kappa-B p65 subunit (627 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAP3K14 Tchem Mitogen-activated protein kinase kinase kinase 14 (1412 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Maver1 (85 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Z-138 (387 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCC4006 (24 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
B-cell line (200 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cynomolgus monkey (4946 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 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide
INCHI InChI=1S/C20H19N3O4/c1-23-9-8-20(26,19(23)25)7-6-13-4-3-5-14(10-13)16-11-15(27-2)12-17(22-16)18(21)24/h3-5,10-12,26H,8-9H2,1-2H3,(H2,21,24)/t20-/m0/s1
InChi Key LQSHXYHWYGKAMX-FQEVSTJZSA-N
Canonical SMILES CN1CCC(C1=O)(C#CC2=CC(=CC=C2)C3=NC(=CC(=C3)OC)C(=O)N)O
Isomeric SMILES CN1CC[C@](C1=O)(C#CC2=CC(=CC=C2)C3=NC(=CC(=C3)OC)C(=O)N)O
PubChem CID 117902000
Molecular Weight 365.38

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeDateItem
A2422376Certificate of AnalysisDec 18, 2023 N414283
A2422379Certificate of AnalysisDec 18, 2023 N414283
A2422380Certificate of AnalysisDec 18, 2023 N414283
A2422145Certificate of AnalysisDec 18, 2023 N414283
A2422377Certificate of AnalysisDec 18, 2023 N414283
A2422378Certificate of AnalysisDec 18, 2023 N414283

Chemical and Physical Properties

SolubilitySolubility (25°C) In vitro DMSO: 73 mg/mL (199.79 mM); Water: Insoluble; Ethanol: Insoluble;
Molecular Weight365.400 g/mol
XLogP30.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass365.138 Da
Monoisotopic Mass365.138 Da
Topological Polar Surface Area106.000 Ų
Heavy Atom Count27
Formal Charge0
Complexity654.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1

Specifications

References

1. Brightbill HD, Suto E, Blaquiere N, Ramamoorthi N, Sujatha-Bhaskar S, Gogol EB, Castanedo GM, Jackson BT, Kwon YC, Haller S et al..  (2018)  NF-κB inducing kinase is a therapeutic target for systemic lupus erythematosus..  Nat Commun,  (1): (179).  [PMID:29330524] [10.1021/op500134e]

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