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IKK-16 (IKK Inhibitor VII) - ≥99% , CAS No.873225-46-8

CAS: 873225-46-8 Cat. No.: I129698 Molecular Weight: 483.63 EC Number: 809-503-7
COA
IKK-16 (IKK Inhibitor VII) - ≥99% CAS No(873225-46-8) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
(4-((4-(1-Benzothiophen-2-yl)pyrimidin-2-yl)amino)phenyl)(4-pyrrolidin-1-ylpiperidin-1-yl)methanone | 873225-46-8 (free base) | SMR004702958 | BDBM50175688 | CHEBI:92257 | DTXSID80429553 | MLS006011189 | EX-A721 | (4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Status
Price
Qty
1mg
I129698-1mg
3
$29.90
5mg
I129698-5mg
3
$109.90
10mg
I129698-10mg
3
$182.90
50mg
I129698-50mg
2
$719.90
100mg
I129698-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,018.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Solution Calculators Reviews
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
(4-((4-(1-Benzothiophen-2-yl)pyrimidin-2-yl)amino)phenyl)(4-pyrrolidin-1-ylpiperidin-1-yl)methanone | 873225-46-8 (free base) | SMR004702958 | BDBM50175688 | CHEBI:92257 | DTXSID80429553 | MLS006011189 | EX-A721 | (4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms

Description： IC50 value: 40nM( forIKK-2);70nM(for Ikk complex);200nM(for Ikk-1) IKK 16 is a selective IκB kinase (IKK) inhibitor for IKK-2, IKK complex and IKK-1 with IC50 of 40 nM, 70 nM and 200 nM, respectively. IKKs play an impor

Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥99%
Names and Identifiers
Pubchem Sid504764810
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504764810
Canonical SmilesC1CCN(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CC6=CC=CC=C6S5
IUPAC Name[4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
InChIKeyBWZJBXAPRCVCKQ-UHFFFAOYSA-N
INCHI1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31)
Isomeric SMILES C1CCN(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CC6=CC=CC=C6S5
Molecular Weight 483.63
Reaxy-Rn 10307514
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10307514&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoyl derivatives
Intermediate Tree Nodes Not available
Direct Parent1-benzoylpiperidines
Alternative Parents N-benzoylpiperidines  1-benzothiophenes  Benzamides  2,3,5-trisubstituted thiophenes  Aniline and substituted anilines  Aminopiperidines  Aminopyrimidines and derivatives  N-alkylpyrrolidines  Tertiary carboxylic acid amides  Heteroaromatic compounds  Trialkylamines  Amino acids and derivatives  Secondary amines  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organooxygen compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-benzoylpiperidine - 1-benzoylpiperidine - N-acyl-piperidine - Benzothiophene - 1-benzothiophene - Benzoic acid or derivatives - Benzamide - Aniline or substituted anilines - 2,3,5-trisubstituted thiophene - Aminopyrimidine - 4-aminopiperidine - N-alkylpyrrolidine - Pyrimidine - Piperidine - Pyrrolidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Secondary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PRKCZ Tchem Protein kinase C zeta type (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKCZ Tchem Protein kinase C zeta (2414 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHUK Tchem Inhibitor of nuclear factor kappa B kinase alpha subunit (3170 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IKBKB Tchem Inhibitor of nuclear factor kappa B kinase beta subunit (5554 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKCE Tchem Protein kinase C epsilon (1520 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKCH Tchem Protein kinase C eta (1863 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKCQ Tchem Protein kinase C theta (3319 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKX Tchem Serine/threonine-protein kinase PRKX (2278 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SGK2 Tchem Serine/threonine-protein kinase Sgk2 (2068 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SGK3 Tchem Serine/threonine-protein kinase Sgk3 (1431 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BLM Tchem Bloom syndrome protein (4248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IKBKB Tchem Inhibitor of NF-kappa-B kinase (IKK) (78 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 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
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Glycogen synthase kinase 3 (64 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

5 results found

Lot NumberCertificate TypeDateItem
B2216375Certificate of AnalysisSep 09, 2025 I129698
B2216376Certificate of AnalysisSep 09, 2025 I129698
B2216377Certificate of AnalysisSep 09, 2025 I129698
B2216404Certificate of AnalysisSep 09, 2025 I129698
B2216405Certificate of AnalysisSep 09, 2025 I129698
Chemical and Physical Properties
SolubilityDMSO 97 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
Molecular Weight483.600 g/mol
XLogP35.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass483.209 Da
Monoisotopic Mass483.209 Da
Topological Polar Surface Area89.600 Ų
Heavy Atom Count35
Formal Charge0
Complexity701.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
RNA Viruses Triggered Signal Pathway
Categories: Technical articles
Tags:
NF-kB signaling pathway Signaling pathway RNA virus NF-kB
How to Map the NF-κB Pathway and Choose Inhibitors: Bringing Inflammatory Transcriptional Output into a “Controllable Range” (Tables A–F)
Categories: Technical articles
Tags:
NF-κB inhibitor
Solution Calculators
Reviews

Customer Reviews

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